CID 241332

6-acetyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC(=O)C1=CC(=O)NC(=O)N1
InChI
InChI=1S/C6H6N2O3/c1-3(9)4-2-5(10)8-6(11)7-4/h2H,1H3,(H2,7,8,10,11)
InChIKey
CKJBKWWHBKLNPB-UHFFFAOYSA-N
Compound name
6-acetyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

154.03784 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.5
[M+Na]+ 177.02706 136.8
[M-H]- 153.03056 125.7
[M+NH4]+ 172.07166 143.8
[M+K]+ 193.00100 133.7
[M+H-H2O]+ 137.03510 120.4
[M+HCOO]- 199.03604 146.7
[M+CH3COO]- 213.05169 169.4
[M+Na-2H]- 175.01251 132.7
[M]+ 154.03729 125.0
[M]- 154.03839 125.0
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