CID 63395

10367-31-4

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

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

InChI

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

InChIKey

PMTDQSQXZCHYBZ-UHFFFAOYSA-N

Compound name

3-(2,5-dimethylphenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
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]+	265.133526	161.6
[M+Na]+	287.115468	173.3
[M-H]-	263.118974	167.6
[M+NH4]+	282.160073	177.3
[M+K]+	303.089408	167.4
[M+H-H2O]+	247.123510	152.4
[M+HCOO]-	309.124451	182.3
[M+CH3COO]-	323.140101	174.3
[M+Na-2H]-	285.100916	167.5
[M]+	264.12570142	164.1
[M]-	264.12679858	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.