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]+	390.157206	193.8
[M+Na]+	412.139148	204.0
[M-H]-	388.142654	199.9
[M+NH4]+	407.183753	198.9
[M+K]+	428.113088	196.3
[M+H-H2O]+	372.147190	184.3
[M+HCOO]-	434.148131	211.1
[M+CH3COO]-	448.163781	227.9
[M+Na-2H]-	410.124596	191.8
[M]+	389.14938142	196.0
[M]-	389.15047858	196.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.157206

193.8

[M+Na]+

412.139148

204.0

[M-H]-

388.142654

199.9

[M+NH4]+

407.183753

198.9

[M+K]+

428.113088

196.3

[M+H-H2O]+

372.147190

184.3

[M+HCOO]-

434.148131

211.1

[M+CH3COO]-

448.163781

227.9

[M+Na-2H]-

410.124596

191.8

[M]+

389.14938142

196.0

[M]-

389.15047858

196.0

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