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]+ 235.08257 154.3
[M+Na]+ 257.06451 162.6
[M-H]- 233.06801 156.2
[M+NH4]+ 252.10911 168.1
[M+K]+ 273.03845 161.5
[M+H-H2O]+ 217.07255 140.2
[M+HCOO]- 279.07349 173.4
[M+CH3COO]- 293.08914 205.9
[M+Na-2H]- 255.04996 156.6
[M]+ 234.07474 148.7
[M]- 234.07584 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.