CID 121553588

6-(dimethylamino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CN1C(=C(C(=O)N(C1=O)C)C#N)N(C)C
InChI
InChI=1S/C9H12N4O2/c1-11(2)7-6(5-10)8(14)13(4)9(15)12(7)3/h1-4H3
InChIKey
PPWGGFJIFPLDSS-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 140.0
[M+Na]+ 231.085238 152.2
[M-H]- 207.088744 142.7
[M+NH4]+ 226.129843 155.5
[M+K]+ 247.059178 151.4
[M+H-H2O]+ 191.093280 126.1
[M+HCOO]- 253.094221 160.1
[M+CH3COO]- 267.109871 205.6
[M+Na-2H]- 229.070686 143.9
[M]+ 208.09547142 138.8
[M]- 208.09656858 138.8
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

No patent data available for this compound.