CID 118892432
Rilematovir
Structural Information
- Molecular Formula
- C21H20ClF3N4O3S
- SMILES
- CS(=O)(=O)CCCN1C2=C(C=C(C=C2)Cl)C=C1CN3C4=C(C=CN=C4)N(C3=O)CC(F)(F)F
- InChI
- InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
- InChIKey
- GTQTUABHRCWVLL-UHFFFAOYSA-N
- Compound name
- 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 501.09694 | 218.5 |
[M+Na]+ | 523.07888 | 233.4 |
[M-H]- | 499.08238 | 220.9 |
[M+NH4]+ | 518.12348 | 228.3 |
[M+K]+ | 539.05282 | 225.0 |
[M+H-H2O]+ | 483.08692 | 208.7 |
[M+HCOO]- | 545.08786 | 224.3 |
[M+CH3COO]- | 559.10351 | 234.1 |
[M+Na-2H]- | 521.06433 | 218.0 |
[M]+ | 500.08911 | 228.7 |
[M]- | 500.09021 | 228.7 |