CID 3062162

80306-49-6

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=CC=C(C=C1)N2C(=O)C=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O/c1-13-7-9-15(10-8-13)19-16(20)11-12-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey
YAEJSSBATRPNEG-UHFFFAOYSA-N
Compound name
3-(4-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]+ 263.11791 160.4
[M+Na]+ 285.09985 179.0
[M+NH4]+ 280.14445 169.3
[M+K]+ 301.07379 169.5
[M-H]- 261.10335 167.1
[M+Na-2H]- 283.08530 173.4
[M]+ 262.11008 165.3
[M]- 262.11118 165.3
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.