CID 13451

886-59-9

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKey
WPLYTRWMCWBZEN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

158
Patents

218.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.3
[M+Na]+ 241.131118 151.6
[M-H]- 217.134624 154.6
[M+NH4]+ 236.175723 166.3
[M+K]+ 257.105058 148.9
[M+H-H2O]+ 201.139160 141.5
[M+HCOO]- 263.140101 171.2
[M+CH3COO]- 277.155751 190.6
[M+Na-2H]- 239.116566 154.5
[M]+ 218.14135142 142.2
[M]- 218.14244858 142.2
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