Product Name10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monomethanesulphonate
CAS13115-40-7
Molecular FormulaC20H29N3O5S3
Molecular Weight487.65636
InChIInChI=1S/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)
InChIKey JGKVKXPDDVRUKC-UHFFFAOYSA-N
SmilesC1=C2C(SC3=C(N2CC(N(C)C)C)C=CC=C3)=CC=C1S(N(C)C)(=O)=O.CS(O)(=O)=O
Mass
MS-IW-3786 10-(2-(dimethylamino)propyl)-N,N-dimethyl-2-phenothiazinesulfonamide methanesulfonate C19H25N3O2S2 CH4O3S (Mass of molecular ion: 391)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.2 42.0 1.2 44.0 1.3 70.0 1.0 72.0 100.0 73.0 5.3 79.0 2.5 81.0 1.3 96.0 2.9 210.0 1.1 211.0 1.2 320.0 2.0 391.0 1.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C19 H25 N3 O2 S2 | 0.040 g : 0.5 ml CDCl3 |
10-(2-(dimethylamino)propyl)-N,N-dimethyl-2-phenothiazinesulfonamide methanesulfonate |
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Assign. Shift(ppm) |
Hz ppm Int.
2946.97 7.374 84 2945.50 7.371 99 2941.47 7.361 153 2933.59 7.341 58 2927.92 7.327 32 2927.18 7.325 39 2926.45 7.323 41 2925.72 7.321 40 2919.86 7.307 35 2918.21 7.302 44 2915.09 7.295 89 2891.65 7.236 46 2890.18 7.232 49 2883.96 7.217 64 2882.49 7.213 59 2876.81 7.199 51 2869.30 7.180 37 2868.57 7.178 37 2836.33 7.098 34 2835.23 7.095 34 2828.82 7.079 51 2827.72 7.076 50 1155.96 2.893 507 1125.74 2.817 631 1092.41 2.734 1000 600.60 1.503 170 593.83 1.486 169
in CDCl3
KBr disc
nujol mull
10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monomethanesulphonate (13115-40-7) 13C NMR Atlas of Related Products
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