CID 471666

N-benzylciprofloxacin

Structural Information

Molecular Formula
C24H24FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC=CC=C5)F)C(=O)O
InChI
InChI=1S/C24H24FN3O3/c25-20-12-18-21(28(17-6-7-17)15-19(23(18)29)24(30)31)13-22(20)27-10-8-26(9-11-27)14-16-4-2-1-3-5-16/h1-5,12-13,15,17H,6-11,14H2,(H,30,31)
InChIKey
ZEIULIVASNZVPU-UHFFFAOYSA-N
Compound name
7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

421.18018 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18746 206.9
[M+Na]+ 444.16940 215.0
[M-H]- 420.17290 213.2
[M+NH4]+ 439.21400 208.0
[M+K]+ 460.14334 206.4
[M+H-H2O]+ 404.17744 194.1
[M+HCOO]- 466.17838 218.2
[M+CH3COO]- 480.19403 213.0
[M+Na-2H]- 442.15485 205.2
[M]+ 421.17963 205.0
[M]- 421.18073 205.0
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