CID 1082717

171204-22-1

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-17(21)13-10-16(20)18-15-9-5-3-7-12(13)15/h2-10H,1H3,(H,18,20)(H,19,21)

InChIKey

LQZPYSVHMRIOES-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 278.10553 Da
Monoisotopic Mass: 2.3
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]+	279.112806	162.4
[M+Na]+	301.094748	170.8
[M-H]-	277.098254	167.8
[M+NH4]+	296.139353	177.0
[M+K]+	317.068688	164.9
[M+H-H2O]+	261.102790	153.9
[M+HCOO]-	323.103731	183.5
[M+CH3COO]-	337.119381	173.8
[M+Na-2H]-	299.080196	168.8
[M]+	278.10498142	161.2
[M]-	278.10607858	161.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.