CID 234258

3-(3-chlorophenyl)-1,1-dicyclohexylurea

Structural Information

Molecular Formula
C19H27ClN2O
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H27ClN2O/c20-15-8-7-9-16(14-15)21-19(23)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13H2,(H,21,23)
InChIKey
SJGQQUIRPBJPIK-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-dicyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18118 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18846 181.3
[M+Na]+ 357.17040 181.0
[M-H]- 333.17390 189.3
[M+NH4]+ 352.21500 194.4
[M+K]+ 373.14434 176.5
[M+H-H2O]+ 317.17844 172.2
[M+HCOO]- 379.17938 194.0
[M+CH3COO]- 393.19503 213.8
[M+Na-2H]- 355.15585 180.6
[M]+ 334.18063 173.4
[M]- 334.18173 173.4
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.