CID 734518

2-methyl-6-phenoxyquinolin-4-ol

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

CC1=CC(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H13NO2/c1-11-9-16(18)14-10-13(7-8-15(14)17-11)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)

InChIKey

ZBSNECQPGWJIGI-UHFFFAOYSA-N

Compound name

2-methyl-6-phenoxy-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 251.09464 Da
Monoisotopic Mass: 3.5
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]+	252.101916	155.0
[M+Na]+	274.083858	164.7
[M-H]-	250.087364	160.5
[M+NH4]+	269.128463	171.2
[M+K]+	290.057798	159.1
[M+H-H2O]+	234.091900	146.7
[M+HCOO]-	296.092841	176.2
[M+CH3COO]-	310.108491	167.4
[M+Na-2H]-	272.069306	162.6
[M]+	251.09409142	155.4
[M]-	251.09518858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe