CID 63366

B 149

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3O

InChI

InChI=1S/C15H12N2O2/c1-10-16-12-7-3-2-6-11(12)15(19)17(10)13-8-4-5-9-14(13)18/h2-9,18H,1H3

InChIKey

FEYCILDZMVVXLY-UHFFFAOYSA-N

Compound name

3-(2-hydroxyphenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 1.8
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]+	253.09715	156.1
[M+Na]+	275.07909	167.1
[M-H]-	251.08259	160.7
[M+NH4]+	270.12369	171.1
[M+K]+	291.05303	161.4
[M+H-H2O]+	235.08713	147.2
[M+HCOO]-	297.08807	176.2
[M+CH3COO]-	311.10372	168.4
[M+Na-2H]-	273.06454	163.4
[M]+	252.08932	157.0
[M]-	252.09042	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe