CID 24901723
4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
Structural Information
- Molecular Formula
- C18H20N6O2S
- SMILES
- CC1=NC=C(N1C2CC2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NC
- InChI
- InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
- InChIKey
- MZWCVBFANHIPTJ-UHFFFAOYSA-N
- Compound name
- 4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.14412 | 192.6 |
[M+Na]+ | 407.12606 | 203.2 |
[M-H]- | 383.12956 | 201.4 |
[M+NH4]+ | 402.17066 | 196.3 |
[M+K]+ | 423.10000 | 194.7 |
[M+H-H2O]+ | 367.13410 | 183.4 |
[M+HCOO]- | 429.13504 | 209.7 |
[M+CH3COO]- | 443.15069 | 201.5 |
[M+Na-2H]- | 405.11151 | 195.0 |
[M]+ | 384.13629 | 197.2 |
[M]- | 384.13739 | 197.2 |