CID 15958784
Schembl2629091
Structural Information
- Molecular Formula
- C24H20FN7O4
- SMILES
- C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4C5=NNC(=C5)C(=O)N)F
- InChI
- InChI=1S/C24H20FN7O4/c25-15-12-28-19(16-10-17(22(26)34)30-29-16)20-18(15)14(11-27-20)21(33)24(36)32-8-6-31(7-9-32)23(35)13-4-2-1-3-5-13/h1-5,10-12,27H,6-9H2,(H2,26,34)(H,29,30)
- InChIKey
- BNKPJGOAZBZTJQ-UHFFFAOYSA-N
- Compound name
- 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 490.16335 | 208.3 |
[M+Na]+ | 512.14529 | 213.2 |
[M-H]- | 488.14879 | 211.9 |
[M+NH4]+ | 507.18989 | 208.8 |
[M+K]+ | 528.11923 | 206.2 |
[M+H-H2O]+ | 472.15333 | 196.2 |
[M+HCOO]- | 534.15427 | 216.1 |
[M+CH3COO]- | 548.16992 | 212.9 |
[M+Na-2H]- | 510.13074 | 202.8 |
[M]+ | 489.15552 | 203.0 |
[M]- | 489.15662 | 203.0 |