PubChemLite - Tosufloxacin (C19H15F3N4O3)

Structural Information

Molecular Formula

SMILES

C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F

InChI

InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)

InChIKey

WUWFMDMBOJLQIV-UHFFFAOYSA-N

Compound name

7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-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]+	405.11690	193.4
[M+Na]+	427.09884	204.1
[M-H]-	403.10234	196.1
[M+NH4]+	422.14344	202.0
[M+K]+	443.07278	196.5
[M+H-H2O]+	387.10688	180.9
[M+HCOO]-	449.10782	206.4
[M+CH3COO]-	463.12347	201.7
[M+Na-2H]-	425.08429	189.9
[M]+	404.10907	189.0
[M]-	404.11017	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.11690

193.4

[M+Na]+

427.09884

204.1

[M-H]-

403.10234

196.1

[M+NH4]+

422.14344

202.0

[M+K]+

443.07278

196.5

[M+H-H2O]+

387.10688

180.9

[M+HCOO]-

449.10782

206.4

[M+CH3COO]-

463.12347

201.7

[M+Na-2H]-

425.08429

189.9

[M]+

404.10907

189.0

[M]-

404.11017

189.0

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

Tosufloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe