CID 3021390

Brn 4450724

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=CC=CC=C1N2C(=O)C=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O/c1-13-7-5-6-10-15(13)19-16(20)11-12-18-17(19)14-8-3-2-4-9-14/h2-12H,1H3
InChIKey
MKROCMNSUHUESV-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.