CID 71755660

5-acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC(=O)C1=CNC(=O)N(C1=O)C
InChI
InChI=1S/C7H8N2O3/c1-4(10)5-3-8-7(12)9(2)6(5)11/h3H,1-2H3,(H,8,12)
InChIKey
XPMBJDVXFAFVRP-UHFFFAOYSA-N
Compound name
5-acetyl-3-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 129.3
[M+Na]+ 191.042718 140.5
[M-H]- 167.046224 130.2
[M+NH4]+ 186.087323 147.1
[M+K]+ 207.016658 138.1
[M+H-H2O]+ 151.050760 123.1
[M+HCOO]- 213.051701 150.7
[M+CH3COO]- 227.067351 176.1
[M+Na-2H]- 189.028166 134.9
[M]+ 168.05295142 130.5
[M]- 168.05404858 130.5
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

patents stripe