CID 170454445

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

Structural Information

Molecular Formula

C₁₆H₁₈FN₃O₄

SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)O)F)C(=O)O

InChI

InChI=1S/C16H18FN3O4/c1-2-19-7-10(16(23)24)15(22)9-5-11(17)13(6-12(9)19)20-4-3-18-14(21)8-20/h5-7,14,18,21H,2-4,8H2,1H3,(H,23,24)

InChIKey

DOBMDPOKYPSNIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.12814 Da
Monoisotopic Mass: -1.7
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]+	336.135416	178.6
[M+Na]+	358.117358	186.6
[M-H]-	334.120864	177.1
[M+NH4]+	353.161963	187.3
[M+K]+	374.091298	180.5
[M+H-H2O]+	318.125400	168.7
[M+HCOO]-	380.126341	188.0
[M+CH3COO]-	394.141991	206.1
[M+Na-2H]-	356.102806	178.4
[M]+	335.12759142	174.0
[M]-	335.12868858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.