CID 751320

1-(3-chlorophenyl)-3-cyclohexylurea

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H17ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKey
WUPWWTKSYQSCFQ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

252.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 157.1
[M+Na]+ 275.09216 161.2
[M-H]- 251.09566 162.6
[M+NH4]+ 270.13676 174.0
[M+K]+ 291.06610 156.6
[M+H-H2O]+ 235.10020 150.3
[M+HCOO]- 297.10114 174.5
[M+CH3COO]- 311.11679 195.5
[M+Na-2H]- 273.07761 161.0
[M]+ 252.10239 152.7
[M]- 252.10349 152.7
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.