CID 3526095

1-cyclohexyl-3-pyrimidin-2-yl-urea

Structural Information

Molecular Formula
C11H16N4O
SMILES
C1CCC(CC1)NC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C11H16N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h4,7-9H,1-3,5-6H2,(H2,12,13,14,15,16)
InChIKey
CCUZUTVWLHWHDW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.13242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 148.8
[M+Na]+ 243.12164 152.0
[M-H]- 219.12514 151.6
[M+NH4]+ 238.16624 163.0
[M+K]+ 259.09558 149.4
[M+H-H2O]+ 203.12968 139.3
[M+HCOO]- 265.13062 168.8
[M+CH3COO]- 279.14627 190.0
[M+Na-2H]- 241.10709 155.5
[M]+ 220.13187 142.1
[M]- 220.13297 142.1
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.