PubChemLite - Gatifloxacin (C19H22FN3O4)

Structural Information

Molecular Formula

SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)

InChIKey

XUBOMFCQGDBHNK-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-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]+	376.16670	195.1
[M+Na]+	398.14864	204.6
[M-H]-	374.15214	198.2
[M+NH4]+	393.19324	198.3
[M+K]+	414.12258	196.7
[M+H-H2O]+	358.15668	184.6
[M+HCOO]-	420.15762	205.4
[M+CH3COO]-	434.17327	218.8
[M+Na-2H]-	396.13409	192.7
[M]+	375.15887	194.7
[M]-	375.15997	194.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.16670

195.1

[M+Na]+

398.14864

204.6

[M-H]-

374.15214

198.2

[M+NH4]+

393.19324

198.3

[M+K]+

414.12258

196.7

[M+H-H2O]+

358.15668

184.6

[M+HCOO]-

420.15762

205.4

[M+CH3COO]-

434.17327

218.8

[M+Na-2H]-

396.13409

192.7

[M]+

375.15887

194.7

[M]-

375.15997

194.7

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

Gatifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe