CID 63378

2385-23-1

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O/c1-11-16-14-10-6-5-9-13(14)15(18)17(11)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

LGNHCOKGKIUFDW-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 236.09496 Da
Monoisotopic Mass: 2.1
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]+	237.10224	152.0
[M+Na]+	259.08418	170.1
[M+NH4]+	254.12878	161.4
[M+K]+	275.05812	161.0
[M-H]-	235.08768	157.1
[M+Na-2H]-	257.06963	162.8
[M]+	236.09441	156.3
[M]-	236.09551	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe