CID 135407240

2,6-dimethyl-5-phenyl-3h-pyrimidin-4-one

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=C(C(=O)NC(=N1)C)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c1-8-11(10-6-4-3-5-7-10)12(15)14-9(2)13-8/h3-7H,1-2H3,(H,13,14,15)
InChIKey
PCZTWXRAMVQJJY-UHFFFAOYSA-N
Compound name
2,4-dimethyl-5-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.6
[M+Na]+ 223.08418 159.7
[M+NH4]+ 218.12878 151.7
[M+K]+ 239.05812 152.1
[M-H]- 199.08768 147.0
[M+Na-2H]- 221.06963 153.1
[M]+ 200.09441 146.9
[M]- 200.09551 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.