CID 238899

1-(4-chlorophenyl)-3-cyclohexylurea

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKey
HMLXMYNUQCOEDG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

252.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 157.1
[M+Na]+ 275.09216 168.4
[M+NH4]+ 270.13676 166.0
[M+K]+ 291.06610 160.8
[M-H]- 251.09566 162.3
[M+Na-2H]- 273.07761 164.7
[M]+ 252.10239 160.3
[M]- 252.10349 160.3
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