CID 14373255

6-benzoyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,17,18)

InChIKey

BGGBOXVSGGCWMO-UHFFFAOYSA-N

Compound name

6-benzoyl-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 251.09464 Da
Monoisotopic Mass: 2.4
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]+	252.101916	155.6
[M+Na]+	274.083858	162.2
[M-H]-	250.087364	160.0
[M+NH4]+	269.128463	171.1
[M+K]+	290.057798	156.9
[M+H-H2O]+	234.091900	147.3
[M+HCOO]-	296.092841	173.1
[M+CH3COO]-	310.108491	166.5
[M+Na-2H]-	272.069306	160.8
[M]+	251.09409142	151.4
[M]-	251.09518858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe