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

5
Patents

211.09569 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 140.5
[M+Na]+ 234.08491 152.7
[M-H]- 210.08841 144.6
[M+NH4]+ 229.12951 158.2
[M+K]+ 250.05885 151.6
[M+H-H2O]+ 194.09295 133.6
[M+HCOO]- 256.09389 165.2
[M+CH3COO]- 270.10954 194.8
[M+Na-2H]- 232.07036 145.0
[M]+ 211.09514 146.2
[M]- 211.09624 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