CID 280360

1,1-dicyclohexyl-3-phenylurea

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H,20,22)
InChIKey
OSESYOACFFMCTM-UHFFFAOYSA-N
Compound name
1,1-dicyclohexyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 172.7
[M+Na]+ 323.20937 170.6
[M-H]- 299.21287 180.6
[M+NH4]+ 318.25397 186.0
[M+K]+ 339.18331 167.9
[M+H-H2O]+ 283.21741 162.8
[M+HCOO]- 345.21835 189.9
[M+CH3COO]- 359.23400 209.1
[M+Na-2H]- 321.19482 173.4
[M]+ 300.21960 161.9
[M]- 300.22070 161.9
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

patents stripe