CID 135539400

1151-70-8

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

COC1=CC2=C(C=C1)N=C(NC2=O)C3=CC=CC=C3

InChI

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

InChIKey

UHSQXWSTFPABAF-UHFFFAOYSA-N

Compound name

6-methoxy-2-phenyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 44
Patents: 252.08987 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]+	253.09715	155.7
[M+Na]+	275.07909	165.8
[M-H]-	251.08259	159.9
[M+NH4]+	270.12369	170.4
[M+K]+	291.05303	160.1
[M+H-H2O]+	235.08713	146.6
[M+HCOO]-	297.08807	175.8
[M+CH3COO]-	311.10372	167.7
[M+Na-2H]-	273.06454	163.8
[M]+	252.08932	156.2
[M]-	252.09042	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe