CID 474508
4-methoxy-2-(6-methoxy-1h-benzimidazole-2-sulfonylmethyl)-3,5-dimethyl-phenylamine
Structural Information
- Molecular Formula
- C18H21N3O4S
- SMILES
- CC1=CC(=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)N
- InChI
- InChI=1S/C18H21N3O4S/c1-10-7-14(19)13(11(2)17(10)25-4)9-26(22,23)18-20-15-6-5-12(24-3)8-16(15)21-18/h5-8H,9,19H2,1-4H3,(H,20,21)
- InChIKey
- XETJPBJLCYGUJR-UHFFFAOYSA-N
- Compound name
- 4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-3,5-dimethylaniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.13255 | 188.9 |
[M+Na]+ | 398.11449 | 200.3 |
[M-H]- | 374.11799 | 194.0 |
[M+NH4]+ | 393.15909 | 201.4 |
[M+K]+ | 414.08843 | 194.5 |
[M+H-H2O]+ | 358.12253 | 181.6 |
[M+HCOO]- | 420.12347 | 204.5 |
[M+CH3COO]- | 434.13912 | 217.0 |
[M+Na-2H]- | 396.09994 | 190.0 |
[M]+ | 375.12472 | 196.3 |
[M]- | 375.12582 | 196.3 |
Literature stripe
Patent stripe
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