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]+ 267.125876 161.6
[M+Na]+ 289.107818 165.3
[M-H]- 265.111324 166.9
[M+NH4]+ 284.152423 177.9
[M+K]+ 305.081758 160.5
[M+H-H2O]+ 249.115860 154.6
[M+HCOO]- 311.116801 178.6
[M+CH3COO]- 325.132451 198.5
[M+Na-2H]- 287.093266 164.9
[M]+ 266.11805142 157.6
[M]- 266.11914858 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.