CID 478765

Chembl291071

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₂

SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)F)C(=O)N

InChI

InChI=1S/C12H11FN2O2/c1-2-15-6-9(12(14)17)11(16)8-4-3-7(13)5-10(8)15/h3-6H,2H2,1H3,(H2,14,17)

InChIKey

GQBNNWYJULMWBG-UHFFFAOYSA-N

Compound name

1-ethyl-7-fluoro-4-oxoquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 234.08046 Da
Monoisotopic Mass: -0.5
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]+	235.08774	148.2
[M+Na]+	257.06968	158.9
[M-H]-	233.07318	150.6
[M+NH4]+	252.11428	165.9
[M+K]+	273.04362	154.8
[M+H-H2O]+	217.07772	140.4
[M+HCOO]-	279.07866	169.4
[M+CH3COO]-	293.09431	195.5
[M+Na-2H]-	255.05513	152.7
[M]+	234.07991	148.1
[M]-	234.08101	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe