CID 12692638

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

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CN1C=C(C(=O)NC1=O)C(=O)N
InChI
InChI=1S/C6H7N3O3/c1-9-2-3(4(7)10)5(11)8-6(9)12/h2H,1H3,(H2,7,10)(H,8,11,12)
InChIKey
HKELWXCXPBFGRR-UHFFFAOYSA-N
Compound name
1-methyl-2,4-dioxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

169.04874 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 130.6
[M+Na]+ 192.03796 141.3
[M-H]- 168.04146 131.1
[M+NH4]+ 187.08256 147.6
[M+K]+ 208.01190 138.7
[M+H-H2O]+ 152.04600 124.1
[M+HCOO]- 214.04694 152.7
[M+CH3COO]- 228.06259 177.6
[M+Na-2H]- 190.02341 135.8
[M]+ 169.04819 129.6
[M]- 169.04929 129.6
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