CID 483603
182869-08-5
Structural Information
- Molecular Formula
- C22H19F4N3O3
- SMILES
- CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F
- InChI
- InChI=1S/C22H19F4N3O3/c1-10-7-28(8-11(2)27-10)20-16(25)6-13-19(18(20)26)29(9-14(21(13)30)22(31)32)17-4-3-12(23)5-15(17)24/h3-6,9-11,27H,7-8H2,1-2H3,(H,31,32)
- InChIKey
- DENFGZRZUOJXKX-UHFFFAOYSA-N
- Compound name
- 1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 450.14354 | 210.3 |
[M+Na]+ | 472.12548 | 221.0 |
[M-H]- | 448.12898 | 210.0 |
[M+NH4]+ | 467.17008 | 215.1 |
[M+K]+ | 488.09942 | 211.8 |
[M+H-H2O]+ | 432.13352 | 195.7 |
[M+HCOO]- | 494.13446 | 216.5 |
[M+CH3COO]- | 508.15011 | 233.2 |
[M+Na-2H]- | 470.11093 | 204.5 |
[M]+ | 449.13571 | 203.9 |
[M]- | 449.13681 | 203.9 |
Literature stripe
Patent stripe
No patent data available for this compound.