CID 3061667

R 1669

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=CC(=NC(=N1)C)NC(=O)NC(C)C
InChI
InChI=1S/C10H16N4O/c1-6(2)11-10(15)14-9-5-7(3)12-8(4)13-9/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKey
JZFDTHIBAVTMHG-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 148.9
[M+Na]+ 231.121638 156.0
[M-H]- 207.125144 150.3
[M+NH4]+ 226.166243 165.0
[M+K]+ 247.095578 154.4
[M+H-H2O]+ 191.129680 141.1
[M+HCOO]- 253.130621 171.1
[M+CH3COO]- 267.146271 193.4
[M+Na-2H]- 229.107086 153.5
[M]+ 208.13187142 148.8
[M]- 208.13296858 148.8
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.