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

7
Patents

183.06439 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 133.8
[M+Na]+ 206.05361 145.5
[M-H]- 182.05711 135.9
[M+NH4]+ 201.09821 151.3
[M+K]+ 222.02755 143.5
[M+H-H2O]+ 166.06165 127.2
[M+HCOO]- 228.06259 157.0
[M+CH3COO]- 242.07824 184.4
[M+Na-2H]- 204.03906 138.4
[M]+ 183.06384 135.4
[M]- 183.06494 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