CID 63135

22288-99-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H14N2O/c1-11-6-5-7-13(10-11)18-12(2)17-15-9-4-3-8-14(15)16(18)19/h3-10H,1-2H3

InChIKey

ACZZXQREKJMALJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 250.11061 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]+	251.117886	156.9
[M+Na]+	273.099828	168.1
[M-H]-	249.103334	162.7
[M+NH4]+	268.144433	172.8
[M+K]+	289.073768	162.4
[M+H-H2O]+	233.107870	147.7
[M+HCOO]-	295.108811	178.0
[M+CH3COO]-	309.124461	169.7
[M+Na-2H]-	271.085276	164.1
[M]+	250.11006142	158.6
[M]-	250.11115858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe