CID 465559

N-isopropylciprofloxacin

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC(C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O3/c1-12(2)22-5-7-23(8-6-22)18-10-17-14(9-16(18)21)19(25)15(20(26)27)11-24(17)13-3-4-13/h9-13H,3-8H2,1-2H3,(H,26,27)
InChIKey
ILBBQDQPZLDEBO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

373.18018 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 195.1
[M+Na]+ 396.16940 203.7
[M-H]- 372.17290 199.0
[M+NH4]+ 391.21400 198.8
[M+K]+ 412.14334 196.3
[M+H-H2O]+ 356.17744 184.2
[M+HCOO]- 418.17838 205.6
[M+CH3COO]- 432.19403 221.1
[M+Na-2H]- 394.15485 192.2
[M]+ 373.17963 194.3
[M]- 373.18073 194.3
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