CID 130830

Oxonorfloxacin

Structural Information

Molecular Formula
C16H16FN3O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(=O)C3)F)C(=O)O
InChI
InChI=1S/C16H16FN3O4/c1-2-19-7-10(16(23)24)15(22)9-5-11(17)13(6-12(9)19)20-4-3-18-14(21)8-20/h5-7H,2-4,8H2,1H3,(H,18,21)(H,23,24)
InChIKey
OIOFPHGTOUDKAJ-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

4
Patents

333.1125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11978 177.0
[M+Na]+ 356.10172 185.7
[M-H]- 332.10522 176.8
[M+NH4]+ 351.14632 186.3
[M+K]+ 372.07566 179.7
[M+H-H2O]+ 316.10976 166.7
[M+HCOO]- 378.11070 188.0
[M+CH3COO]- 392.12635 207.5
[M+Na-2H]- 354.08717 177.2
[M]+ 333.11195 173.4
[M]- 333.11305 173.4
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