CID 4145594

N-(4-chlorophenyl)-n'-(cyclohexylmethyl)urea

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,16,17,18)
InChIKey
UOKQGNVTXXIPPQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(cyclohexylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.6
[M+Na]+ 289.10782 165.3
[M-H]- 265.11132 166.9
[M+NH4]+ 284.15242 177.9
[M+K]+ 305.08176 160.5
[M+H-H2O]+ 249.11586 154.6
[M+HCOO]- 311.11680 178.6
[M+CH3COO]- 325.13245 198.5
[M+Na-2H]- 287.09327 164.9
[M]+ 266.11805 157.6
[M]- 266.11915 157.6
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.