CID 64056

4(3h)-quinazolinone, 3-(o-tolyl)-

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O

InChI

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

InChIKey

CBFJSWUGLMNPKR-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 236.09496 Da
Monoisotopic Mass: 2.5
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]+	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