PubChemLite - Gemifloxacin (C18H20FN5O4)

Structural Information

Molecular Formula

SMILES

CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F

InChI

InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+

InChIKey

ZRCVYEYHRGVLOC-HYARGMPZSA-N

Compound name

7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	390.15721	190.7
[M+Na]+	412.13915	201.4
[M+NH4]+	407.18375	195.1
[M+K]+	428.11309	200.3
[M-H]-	388.14265	198.8
[M+Na-2H]-	410.12460	195.5
[M]+	389.14938	195.0
[M]-	389.15048	195.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.15721

190.7

[M+Na]+

412.13915

201.4

[M+NH4]+

407.18375

195.1

[M+K]+

428.11309

200.3

[M-H]-

388.14265

198.8

[M+Na-2H]-

410.12460

195.5

[M]+

389.14938

195.0

[M]-

389.15048

195.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Gemifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe