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]+ 209.10330 140.0
[M+Na]+ 231.08524 152.2
[M-H]- 207.08874 142.7
[M+NH4]+ 226.12984 155.5
[M+K]+ 247.05918 151.4
[M+H-H2O]+ 191.09328 126.1
[M+HCOO]- 253.09422 160.1
[M+CH3COO]- 267.10987 205.6
[M+Na-2H]- 229.07069 143.9
[M]+ 208.09547 138.8
[M]- 208.09657 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.