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

1
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

literature stripe

Patent stripe

patents stripe