CID 2369482
3-{[4-(benzyloxy)phenyl]sulfamoyl}benzoic acid
Structural Information
- Molecular Formula
- C20H17NO5S
- SMILES
- C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
- InChI
- InChI=1S/C20H17NO5S/c22-20(23)16-7-4-8-19(13-16)27(24,25)21-17-9-11-18(12-10-17)26-14-15-5-2-1-3-6-15/h1-13,21H,14H2,(H,22,23)
- InChIKey
- JCPVFSKGIIVYIS-UHFFFAOYSA-N
- Compound name
- 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 384.09001 | 187.1 |
[M+Na]+ | 406.07195 | 192.9 |
[M-H]- | 382.07545 | 195.3 |
[M+NH4]+ | 401.11655 | 197.1 |
[M+K]+ | 422.04589 | 187.8 |
[M+H-H2O]+ | 366.07999 | 178.0 |
[M+HCOO]- | 428.08093 | 204.1 |
[M+CH3COO]- | 442.09658 | 214.1 |
[M+Na-2H]- | 404.05740 | 191.0 |
[M]+ | 383.08218 | 189.7 |
[M]- | 383.08328 | 189.7 |