CID 471667

N-phenylciprofloxacin

Structural Information

Molecular Formula
C23H22FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=C5)F)C(=O)O
InChI
InChI=1S/C23H22FN3O3/c24-19-12-17-20(27(16-6-7-16)14-18(22(17)28)23(29)30)13-21(19)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,29,30)
InChIKey
ULDCOIOLVGSPJZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.16452 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17180 203.0
[M+Na]+ 430.15374 211.5
[M-H]- 406.15724 209.5
[M+NH4]+ 425.19834 204.7
[M+K]+ 446.12768 203.1
[M+H-H2O]+ 390.16178 190.4
[M+HCOO]- 452.16272 214.7
[M+CH3COO]- 466.17837 209.5
[M+Na-2H]- 428.13919 201.8
[M]+ 407.16397 200.8
[M]- 407.16507 200.8
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

No patent data available for this compound.