CID 853673

3-(3-chlorophenyl)-1-cyclohexyl-1-methylurea

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CN(C1CCCCC1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-17(13-8-3-2-4-9-13)14(18)16-12-7-5-6-11(15)10-12/h5-7,10,13H,2-4,8-9H2,1H3,(H,16,18)
InChIKey
LRYHVCLGCXYSBI-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-cyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.9
[M+Na]+ 289.10782 165.7
[M-H]- 265.11132 168.7
[M+NH4]+ 284.15242 178.9
[M+K]+ 305.08176 162.3
[M+H-H2O]+ 249.11586 154.7
[M+HCOO]- 311.11680 179.4
[M+CH3COO]- 325.13245 201.9
[M+Na-2H]- 287.09327 164.4
[M]+ 266.11805 159.2
[M]- 266.11915 159.2
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.