CID 60667
Risotilide
Structural Information
- Molecular Formula
- C15H27N3O4S2
- SMILES
- CC(C)NCCN(C(C)C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C
- InChI
- InChI=1S/C15H27N3O4S2/c1-12(2)16-10-11-18(13(3)4)24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3
- InChIKey
- GLIRXHQYWRYQDV-UHFFFAOYSA-N
- Compound name
- 4-(methanesulfonamido)-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.15158 | 185.8 |
[M+Na]+ | 400.13352 | 188.5 |
[M-H]- | 376.13702 | 188.8 |
[M+NH4]+ | 395.17812 | 197.2 |
[M+K]+ | 416.10746 | 185.1 |
[M+H-H2O]+ | 360.14156 | 177.5 |
[M+HCOO]- | 422.14250 | 196.4 |
[M+CH3COO]- | 436.15815 | 224.1 |
[M+Na-2H]- | 398.11897 | 187.3 |
[M]+ | 377.14375 | 190.0 |
[M]- | 377.14485 | 190.0 |