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

1
Patents

168.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 132.2
[M+Na]+ 191.04272 145.0
[M+NH4]+ 186.08732 138.0
[M+K]+ 207.01666 140.9
[M-H]- 167.04622 131.0
[M+Na-2H]- 189.02817 137.0
[M]+ 168.05295 133.3
[M]- 168.05405 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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