PubChemLite - Olamufloxacin mesilate (C20H23FN4O3)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=C(C(=C1N3C[C@H](C4(C3)CC4)N)F)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1

InChIKey

LEILBPMISZFZQK-GFCCVEGCSA-N

Compound name

5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-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]+	387.18268	191.6
[M+Na]+	409.16462	200.9
[M-H]-	385.16812	198.4
[M+NH4]+	404.20922	194.2
[M+K]+	425.13856	193.8
[M+H-H2O]+	369.17266	186.6
[M+HCOO]-	431.17360	204.2
[M+CH3COO]-	445.18925	198.2
[M+Na-2H]-	407.15007	187.7
[M]+	386.17485	193.1
[M]-	386.17595	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.18268

191.6

[M+Na]+

409.16462

200.9

[M-H]-

385.16812

198.4

[M+NH4]+

404.20922

194.2

[M+K]+

425.13856

193.8

[M+H-H2O]+

369.17266

186.6

[M+HCOO]-

431.17360

204.2

[M+CH3COO]-

445.18925

198.2

[M+Na-2H]-

407.15007

187.7

[M]+

386.17485

193.1

[M]-

386.17595

193.1

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

Olamufloxacin mesilate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe