CID 3086749
111856-34-9
Structural Information
- Molecular Formula
- C20H23N3O6S
- SMILES
- C1COCCN1CCCNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C20H23N3O6S/c24-20(16-5-2-1-3-6-16)18-15-17(23(25)26)7-8-19(18)30(27,28)21-9-4-10-22-11-13-29-14-12-22/h1-3,5-8,15,21H,4,9-14H2
- InChIKey
- GZSDUSAOJIOEBM-UHFFFAOYSA-N
- Compound name
- 2-benzoyl-N-(3-morpholin-4-ylpropyl)-4-nitrobenzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.13805 | 197.1 |
[M+Na]+ | 456.11999 | 197.9 |
[M-H]- | 432.12349 | 204.4 |
[M+NH4]+ | 451.16459 | 201.5 |
[M+K]+ | 472.09393 | 190.5 |
[M+H-H2O]+ | 416.12803 | 191.0 |
[M+HCOO]- | 478.12897 | 209.8 |
[M+CH3COO]- | 492.14462 | 219.3 |
[M+Na-2H]- | 454.10544 | 202.4 |
[M]+ | 433.13022 | 194.8 |
[M]- | 433.13132 | 194.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.