CID 28468160

35824-92-1

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C=O)N(C)C
InChI
InChI=1S/C9H13N3O3/c1-10(2)7-6(5-13)8(14)12(4)9(15)11(7)3/h5H,1-4H3
InChIKey
UUVPGWSRRJTGRK-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.09569 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 140.5
[M+Na]+ 234.084908 152.7
[M-H]- 210.088414 144.6
[M+NH4]+ 229.129513 158.2
[M+K]+ 250.058848 151.6
[M+H-H2O]+ 194.092950 133.6
[M+HCOO]- 256.093891 165.2
[M+CH3COO]- 270.109541 194.8
[M+Na-2H]- 232.070356 145.0
[M]+ 211.09514142 146.2
[M]- 211.09623858 146.2
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