CID 470634
K-42
Structural Information
- Molecular Formula
- C25H29FN4O4
- SMILES
- CN1C=C(C(=O)C2=CC(=C(C(=C21)CN(C)C)N3CCN(CC3)C4=CC=CC=C4OC)F)C(=O)O
- InChI
- InChI=1S/C25H29FN4O4/c1-27(2)14-17-22-16(24(31)18(25(32)33)15-28(22)3)13-19(26)23(17)30-11-9-29(10-12-30)20-7-5-6-8-21(20)34-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,32,33)
- InChIKey
- KOVGKNZMHASFHP-UHFFFAOYSA-N
- Compound name
- 8-[(dimethylamino)methyl]-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 469.22458 | 216.3 |
[M+Na]+ | 491.20652 | 222.9 |
[M-H]- | 467.21002 | 221.5 |
[M+NH4]+ | 486.25112 | 220.7 |
[M+K]+ | 507.18046 | 217.7 |
[M+H-H2O]+ | 451.21456 | 202.8 |
[M+HCOO]- | 513.21550 | 227.9 |
[M+CH3COO]- | 527.23115 | 244.0 |
[M+Na-2H]- | 489.19197 | 213.3 |
[M]+ | 468.21675 | 216.7 |
[M]- | 468.21785 | 216.7 |