CID 482668
Chembl59847
Structural Information
- Molecular Formula
- C24H24FN3O4
- SMILES
- CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)C4=CC=CC=C4)F)C(=O)O
- InChI
- InChI=1S/C24H24FN3O4/c1-2-27-14-18(24(31)32)23(30)17-12-19(25)21(13-20(17)27)28-10-8-26(9-11-28)15-22(29)16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3,(H,31,32)
- InChIKey
- ANQQUAPMHWEJAU-UHFFFAOYSA-N
- Compound name
- 1-ethyl-6-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 438.18236 | 206.1 |
[M+Na]+ | 460.16430 | 212.2 |
[M-H]- | 436.16780 | 209.4 |
[M+NH4]+ | 455.20890 | 210.8 |
[M+K]+ | 476.13824 | 205.5 |
[M+H-H2O]+ | 420.17234 | 193.0 |
[M+HCOO]- | 482.17328 | 215.9 |
[M+CH3COO]- | 496.18893 | 230.4 |
[M+Na-2H]- | 458.14975 | 204.0 |
[M]+ | 437.17453 | 203.5 |
[M]- | 437.17563 | 203.5 |