CID 3059249

76267-13-5

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CCN(C(=O)N)C(=O)NC1=CC=CC=N1
InChI
InChI=1S/C9H12N4O2/c1-2-13(8(10)14)9(15)12-7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H2,10,14)(H,11,12,15)
InChIKey
LFVGGACXRQAJBH-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.09602 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 145.6
[M+Na]+ 231.08524 150.7
[M-H]- 207.08874 148.8
[M+NH4]+ 226.12984 162.2
[M+K]+ 247.05918 150.5
[M+H-H2O]+ 191.09328 137.4
[M+HCOO]- 253.09422 170.7
[M+CH3COO]- 267.10987 193.8
[M+Na-2H]- 229.07069 150.6
[M]+ 208.09547 143.9
[M]- 208.09657 143.9
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