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]+ 263.11791 160.1
[M+Na]+ 285.09985 169.8
[M-H]- 261.10335 167.7
[M+NH4]+ 280.14445 173.8
[M+K]+ 301.07379 163.9
[M+H-H2O]+ 245.10789 149.9
[M+HCOO]- 307.10883 182.4
[M+CH3COO]- 321.12448 172.4
[M+Na-2H]- 283.08530 166.9
[M]+ 262.11008 160.3
[M]- 262.11118 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.