CID 16227735

1-(5-cyano-6-oxo-1,6-dihydropyridine-3-carbonyl)-1,3-dimethylurea

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CNC(=O)N(C)C(=O)C1=CNC(=O)C(=C1)C#N
InChI
InChI=1S/C10H10N4O3/c1-12-10(17)14(2)9(16)7-3-6(4-11)8(15)13-5-7/h3,5H,1-2H3,(H,12,17)(H,13,15)
InChIKey
GNUJIEXOIXYPOV-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-N-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.082566 154.3
[M+Na]+ 257.064508 162.6
[M-H]- 233.068014 156.2
[M+NH4]+ 252.109113 168.1
[M+K]+ 273.038448 161.5
[M+H-H2O]+ 217.072550 140.2
[M+HCOO]- 279.073491 173.4
[M+CH3COO]- 293.089141 205.9
[M+Na-2H]- 255.049956 156.6
[M]+ 234.07474142 148.7
[M]- 234.07583858 148.7
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.