CID 122599280
Lartesertib
Structural Information
- Molecular Formula
- C23H21FN6O3
- SMILES
- CC1=NN(C=C1C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=NC=C5OC)F)C)OC)C
- InChI
- InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
- InChIKey
- WNEFOSMCGCLLJU-UHFFFAOYSA-N
- Compound name
- 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxypyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 449.17320 | 213.2 |
[M+Na]+ | 471.15514 | 229.2 |
[M-H]- | 447.15864 | 219.6 |
[M+NH4]+ | 466.19974 | 220.6 |
[M+K]+ | 487.12908 | 220.9 |
[M+H-H2O]+ | 431.16318 | 200.9 |
[M+HCOO]- | 493.16412 | 230.0 |
[M+CH3COO]- | 507.17977 | 222.9 |
[M+Na-2H]- | 469.14059 | 211.1 |
[M]+ | 448.16537 | 223.5 |
[M]- | 448.16647 | 223.5 |