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]+ 201.102236 142.8
[M+Na]+ 223.084178 153.1
[M-H]- 199.087684 146.3
[M+NH4]+ 218.128783 159.1
[M+K]+ 239.058118 148.2
[M+H-H2O]+ 183.092220 134.9
[M+HCOO]- 245.093161 164.1
[M+CH3COO]- 259.108811 183.5
[M+Na-2H]- 221.069626 149.4
[M]+ 200.09441142 142.3
[M]- 200.09550858 142.3
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.