CID 3061666

Urea, n-(2,6-dimethyl-4-pyrimidinyl)-n'-ethyl-

Structural Information

Molecular Formula
C9H14N4O
SMILES
CCNC(=O)NC1=NC(=NC(=C1)C)C
InChI
InChI=1S/C9H14N4O/c1-4-10-9(14)13-8-5-6(2)11-7(3)12-8/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKey
CYOYPYKRUFDOOC-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 144.1
[M+Na]+ 217.105978 151.9
[M-H]- 193.109484 145.5
[M+NH4]+ 212.150583 160.8
[M+K]+ 233.079918 149.9
[M+H-H2O]+ 177.114020 136.3
[M+HCOO]- 239.114961 167.5
[M+CH3COO]- 253.130611 189.5
[M+Na-2H]- 215.091426 150.4
[M]+ 194.11621142 144.2
[M]- 194.11730858 144.2
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.