CID 217820

1,3-dimethyl-5-(4-pyridyl)biuret

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC1=NC=CC(=C1)NC(=O)N(C)C(=O)N
InChI
InChI=1S/C9H12N4O2/c1-6-5-7(3-4-11-6)12-9(15)13(2)8(10)14/h3-5H,1-2H3,(H2,10,14)(H,11,12,15)
InChIKey
WCQMKWDCSVUNHY-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methyl-3-(2-methylpyridin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 145.6
[M+Na]+ 231.08524 154.2
[M+NH4]+ 226.12984 151.5
[M+K]+ 247.05918 151.0
[M-H]- 207.08874 147.0
[M+Na-2H]- 229.07069 150.5
[M]+ 208.09547 146.7
[M]- 208.09657 146.7
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.