CID 128242

Oxociprofloxacin

Structural Information

Molecular Formula
C17H16FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O
InChI
InChI=1S/C17H16FN3O4/c18-12-5-10-13(6-14(12)20-4-3-19-15(22)8-20)21(9-1-2-9)7-11(16(10)23)17(24)25/h5-7,9H,1-4,8H2,(H,19,22)(H,24,25)
InChIKey
MYYZZOHRULFPOQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

25
Patents

345.1125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11978 185.8
[M+Na]+ 368.10172 195.7
[M-H]- 344.10522 188.9
[M+NH4]+ 363.14632 189.9
[M+K]+ 384.07566 187.6
[M+H-H2O]+ 328.10976 175.5
[M+HCOO]- 390.11070 197.1
[M+CH3COO]- 404.12635 193.4
[M+Na-2H]- 366.08717 185.1
[M]+ 345.11195 183.7
[M]- 345.11305 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.