CID 56208

Sarafloxacin

Structural Information

Molecular Formula
C20H17F2N3O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
InChIKey
XBHBWNFJWIASRO-UHFFFAOYSA-N
Compound name
6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

239
References

2923
Patents

385.1238 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13108 191.5
[M+Na]+ 408.11302 199.5
[M-H]- 384.11652 192.8
[M+NH4]+ 403.15762 198.0
[M+K]+ 424.08696 191.4
[M+H-H2O]+ 368.12106 178.4
[M+HCOO]- 430.12200 200.8
[M+CH3COO]- 444.13765 198.4
[M+Na-2H]- 406.09847 191.2
[M]+ 385.12325 184.8
[M]- 385.12435 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe