CID 3695295
5-amino-n-(2-methoxyphenyl)-2-(pyrrolidin-1-yl)benzene-1-sulfonamide
Structural Information
- Molecular Formula
- C17H21N3O3S
- SMILES
- COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCC3
- InChI
- InChI=1S/C17H21N3O3S/c1-23-16-7-3-2-6-14(16)19-24(21,22)17-12-13(18)8-9-15(17)20-10-4-5-11-20/h2-3,6-9,12,19H,4-5,10-11,18H2,1H3
- InChIKey
- PSBGOCIZSKXNGC-UHFFFAOYSA-N
- Compound name
- 5-amino-N-(2-methoxyphenyl)-2-pyrrolidin-1-ylbenzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 348.13765 | 179.1 |
[M+Na]+ | 370.11959 | 185.5 |
[M-H]- | 346.12309 | 187.3 |
[M+NH4]+ | 365.16419 | 192.2 |
[M+K]+ | 386.09353 | 180.5 |
[M+H-H2O]+ | 330.12763 | 170.8 |
[M+HCOO]- | 392.12857 | 196.4 |
[M+CH3COO]- | 406.14422 | 211.9 |
[M+Na-2H]- | 368.10504 | 180.4 |
[M]+ | 347.12982 | 178.8 |
[M]- | 347.13092 | 178.8 |