CID 455698

6-benzyl-5-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(NC(=O)NC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-8-10(13-12(16)14-11(8)15)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKey
JKIVVHQUQAFAMU-UHFFFAOYSA-N
Compound name
6-benzyl-5-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.1
[M+Na]+ 239.079088 156.1
[M-H]- 215.082594 148.3
[M+NH4]+ 234.123693 160.9
[M+K]+ 255.053028 150.3
[M+H-H2O]+ 199.087130 138.3
[M+HCOO]- 261.088071 166.3
[M+CH3COO]- 275.103721 182.4
[M+Na-2H]- 237.064536 152.2
[M]+ 216.08932142 144.4
[M]- 216.09041858 144.4
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.