CID 471665

N-propylciprofloxacin

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O3/c1-2-5-22-6-8-23(9-7-22)18-11-17-14(10-16(18)21)19(25)15(20(26)27)12-24(17)13-3-4-13/h10-13H,2-9H2,1H3,(H,26,27)
InChIKey
QDWLQTDBYVTYQQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(4-propylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

373.18018 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 196.7
[M+Na]+ 396.16940 205.6
[M-H]- 372.17290 200.5
[M+NH4]+ 391.21400 200.5
[M+K]+ 412.14334 197.7
[M+H-H2O]+ 356.17744 185.4
[M+HCOO]- 418.17838 208.1
[M+CH3COO]- 432.19403 220.2
[M+Na-2H]- 394.15485 194.7
[M]+ 373.17963 196.3
[M]- 373.18073 196.3
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