CID 217819

39641-26-4

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC1=C(C=CC=N1)NC(=O)N(C)C(=O)N
InChI
InChI=1S/C9H12N4O2/c1-6-7(4-3-5-11-6)12-9(15)13(2)8(10)14/h3-5H,1-2H3,(H2,10,14)(H,12,15)
InChIKey
VRJZWBJQYZIRIN-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methyl-3-(2-methylpyridin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 145.8
[M+Na]+ 231.08524 151.9
[M-H]- 207.08874 149.4
[M+NH4]+ 226.12984 162.8
[M+K]+ 247.05918 151.7
[M+H-H2O]+ 191.09328 137.9
[M+HCOO]- 253.09422 170.9
[M+CH3COO]- 267.10987 195.1
[M+Na-2H]- 229.07069 150.0
[M]+ 208.09547 144.5
[M]- 208.09657 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