CID 478764

1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CCN1C=C(C(=O)C2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C12H12N2O2/c1-2-14-7-9(12(13)16)11(15)8-5-3-4-6-10(8)14/h3-7H,2H2,1H3,(H2,13,16)

InChIKey

IGBIYUAKBDNNRJ-UHFFFAOYSA-N

Compound name

1-ethyl-4-oxoquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 216.08987 Da
Monoisotopic Mass: -0.6
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]+	217.09715	145.3
[M+Na]+	239.07909	155.0
[M-H]-	215.08259	148.7
[M+NH4]+	234.12369	163.5
[M+K]+	255.05303	151.4
[M+H-H2O]+	199.08713	138.3
[M+HCOO]-	261.08807	167.6
[M+CH3COO]-	275.10372	191.6
[M+Na-2H]-	237.06454	151.2
[M]+	216.08932	145.9
[M]-	216.09042	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe