CID 5274868
1-tert-butyl-6-fluoro-4-oxo-7-[4-[(2e)-2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]quinoline-3-carboxylic acid
Structural Information
- Molecular Formula
- C27H30FN5O4
- SMILES
- CC(=NC(=O)C1=CC=NC=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)F
- InChI
- InChI=1S/C27H30FN5O4/c1-17(30-25(35)18-5-7-29-8-6-18)15-31-9-11-32(12-10-31)23-14-22-19(13-21(23)28)24(34)20(26(36)37)16-33(22)27(2,3)4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,36,37)
- InChIKey
- ZGDTWDOSVRLZJP-UHFFFAOYSA-N
- Compound name
- 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]quinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 508.23546 | 225.2 |
[M+Na]+ | 530.21740 | 229.9 |
[M-H]- | 506.22090 | 228.5 |
[M+NH4]+ | 525.26200 | 226.1 |
[M+K]+ | 546.19134 | 224.0 |
[M+H-H2O]+ | 490.22544 | 211.7 |
[M+HCOO]- | 552.22638 | 232.7 |
[M+CH3COO]- | 566.24203 | 247.9 |
[M+Na-2H]- | 528.20285 | 223.4 |
[M]+ | 507.22763 | 223.3 |
[M]- | 507.22873 | 223.3 |
Literature stripe
Patent stripe
No patent data available for this compound.