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

literature stripe

Patent stripe

patents stripe