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]+ 281.141526 166.5
[M+Na]+ 303.123468 169.9
[M-H]- 279.126974 173.1
[M+NH4]+ 298.168073 182.9
[M+K]+ 319.097408 166.2
[M+H-H2O]+ 263.131510 159.1
[M+HCOO]- 325.132451 183.7
[M+CH3COO]- 339.148101 204.9
[M+Na-2H]- 301.108916 168.5
[M]+ 280.13370142 164.1
[M]- 280.13479858 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.