CID 51081

Pefloxacin

Structural Information

Molecular Formula

C₁₇H₂₀FN₃O₃

SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O

InChI

InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)

InChIKey

FHFYDNQZQSQIAI-UHFFFAOYSA-N

Compound name

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1184
References: 18299
Patents: 333.14886 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

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]+	334.15614	179.5
[M+Na]+	356.13808	188.2
[M-H]-	332.14158	180.5
[M+NH4]+	351.18268	189.8
[M+K]+	372.11202	182.6
[M+H-H2O]+	316.14612	168.9
[M+HCOO]-	378.14706	191.4
[M+CH3COO]-	392.16271	211.1
[M+Na-2H]-	354.12353	179.5
[M]+	333.14831	177.3
[M]-	333.14941	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe