CID 3609352

93323-47-8

Structural Information

Molecular Formula

C₁₇H₁₄N₂O

SMILES

CN1C(=C(C=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O/c1-19-16(14-10-6-3-7-11-14)15(12-18-17(19)20)13-8-4-2-5-9-13/h2-12H,1H3

InChIKey

BBNFFQUTCXFQIC-UHFFFAOYSA-N

Compound name

1-methyl-5,6-diphenylpyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 262.11063 Da
Monoisotopic Mass: 2.7
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]+	263.117906	160.1
[M+Na]+	285.099848	169.8
[M-H]-	261.103354	167.7
[M+NH4]+	280.144453	173.8
[M+K]+	301.073788	163.9
[M+H-H2O]+	245.107890	149.9
[M+HCOO]-	307.108831	182.4
[M+CH3COO]-	321.124481	172.4
[M+Na-2H]-	283.085296	166.9
[M]+	262.11008142	160.3
[M]-	262.11117858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe