CID 63118

1915-79-3

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

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

InChI

InChI=1S/C17H16N2O/c1-11-7-6-10-16(12(11)2)19-13(3)18-15-9-5-4-8-14(15)17(19)20/h4-10H,1-3H3

InChIKey

JIKUUQKCXVSNPX-UHFFFAOYSA-N

Compound name

3-(2,3-dimethylphenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 264.12625 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]+	265.13353	161.4
[M+Na]+	287.11547	179.8
[M+NH4]+	282.16007	170.4
[M+K]+	303.08941	170.6
[M-H]-	263.11897	166.6
[M+Na-2H]-	285.10092	171.2
[M]+	264.12570	165.8
[M]-	264.12680	165.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.