CID 65828

Irloxacin

Structural Information

Molecular Formula
C16H13FN2O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C=CC=C3)F)C(=O)O
InChI
InChI=1S/C16H13FN2O3/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-5-3-4-6-19/h3-9H,2H2,1H3,(H,21,22)
InChIKey
RZLHGQLYNZQZQQ-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

1428
Patents

300.09103 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09831 167.8
[M+Na]+ 323.08025 182.1
[M+NH4]+ 318.12485 173.8
[M+K]+ 339.05419 177.6
[M-H]- 299.08375 168.6
[M+Na-2H]- 321.06570 173.7
[M]+ 300.09048 169.9
[M]- 300.09158 169.9
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