CID 12458448

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CN1C=C(C(=O)N(C1=O)C)C(=O)N
InChI
InChI=1S/C7H9N3O3/c1-9-3-4(5(8)11)6(12)10(2)7(9)13/h3H,1-2H3,(H2,8,11)
InChIKey
VMZCIAQOMWFRDC-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.06439 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 133.8
[M+Na]+ 206.053608 145.5
[M-H]- 182.057114 135.9
[M+NH4]+ 201.098213 151.3
[M+K]+ 222.027548 143.5
[M+H-H2O]+ 166.061650 127.2
[M+HCOO]- 228.062591 157.0
[M+CH3COO]- 242.078241 184.4
[M+Na-2H]- 204.039056 138.4
[M]+ 183.06384142 135.4
[M]- 183.06493858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe