CID 161091

14802-18-7

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)

InChIKey

JGABMVVOXLQCKZ-UHFFFAOYSA-N

Compound name

2-phenyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 38
References: 324
Patents: 221.08406 Da
Monoisotopic Mass: 3.2
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]+	222.091336	146.8
[M+Na]+	244.073278	156.2
[M-H]-	220.076784	152.1
[M+NH4]+	239.117883	164.0
[M+K]+	260.047218	150.1
[M+H-H2O]+	204.081320	138.8
[M+HCOO]-	266.082261	168.2
[M+CH3COO]-	280.097911	159.5
[M+Na-2H]-	242.058726	155.7
[M]+	221.08351142	145.1
[M]-	221.08460858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe