CID 2818760

13324-79-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H14N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)

InChIKey

ZRJPAELTYZGKSY-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 238.11061 Da
Monoisotopic Mass: 2.9
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]+	239.11789	155.4
[M+Na]+	261.09983	170.5
[M+NH4]+	256.14443	163.9
[M+K]+	277.07377	162.4
[M-H]-	237.10333	159.0
[M+Na-2H]-	259.08528	163.1
[M]+	238.11006	158.6
[M]-	238.11116	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe