CID 3038373

1,3-dimethyl-5-(2-pyridyl)biuret

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 145.8
[M+Na]+ 231.085238 151.9
[M-H]- 207.088744 149.4
[M+NH4]+ 226.129843 162.8
[M+K]+ 247.059178 151.7
[M+H-H2O]+ 191.093280 137.9
[M+HCOO]- 253.094221 170.9
[M+CH3COO]- 267.109871 195.1
[M+Na-2H]- 229.070686 150.0
[M]+ 208.09547142 144.5
[M]- 208.09656858 144.5
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

patents stripe