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

21
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

literature stripe

Patent stripe

patents stripe