CID 45051167

N'-(3-chloro-4-methylphenyl)-n-cyclohexyl-n-ethylurea

Structural Information

Molecular Formula
C16H23ClN2O
SMILES
CCN(C1CCCCC1)C(=O)NC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C16H23ClN2O/c1-3-19(14-7-5-4-6-8-14)16(20)18-13-10-9-12(2)15(17)11-13/h9-11,14H,3-8H2,1-2H3,(H,18,20)
InChIKey
OYROPLRBQAKLTA-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15718 171.1
[M+Na]+ 317.13912 175.0
[M-H]- 293.14262 177.9
[M+NH4]+ 312.18372 187.2
[M+K]+ 333.11306 171.1
[M+H-H2O]+ 277.14716 163.7
[M+HCOO]- 339.14810 187.9
[M+CH3COO]- 353.16375 209.0
[M+Na-2H]- 315.12457 171.8
[M]+ 294.14935 169.4
[M]- 294.15045 169.4
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.