CID 60063

Clinafloxacin

Structural Information

Molecular Formula
C17H17ClFN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O
InChI
InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
InChIKey
QGPKADBNRMWEQR-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

254
References

9776
Patents

365.09424 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10152 180.7
[M+Na]+ 388.08346 193.7
[M+NH4]+ 383.12806 187.3
[M+K]+ 404.05740 191.2
[M-H]- 364.08696 189.5
[M+Na-2H]- 386.06891 186.6
[M]+ 365.09369 186.1
[M]- 365.09479 186.1
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