CID 3819911

N'-(3-chlorophenyl)-n-cyclohexyl-n-ethylurea

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCN(C1CCCCC1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H21ClN2O/c1-2-18(14-9-4-3-5-10-14)15(19)17-13-8-6-7-12(16)11-13/h6-8,11,14H,2-5,9-10H2,1H3,(H,17,19)
InChIKey
XNQWPPOCQSXYEP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-cyclohexyl-1-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.5
[M+Na]+ 303.12347 169.9
[M-H]- 279.12697 173.1
[M+NH4]+ 298.16807 182.9
[M+K]+ 319.09741 166.2
[M+H-H2O]+ 263.13151 159.1
[M+HCOO]- 325.13245 183.7
[M+CH3COO]- 339.14810 204.9
[M+Na-2H]- 301.10892 168.5
[M]+ 280.13370 164.1
[M]- 280.13480 164.1
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.