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

11
Patents

300.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 172.7
[M+Na]+ 323.209368 170.6
[M-H]- 299.212874 180.6
[M+NH4]+ 318.253973 186.0
[M+K]+ 339.183308 167.9
[M+H-H2O]+ 283.217410 162.8
[M+HCOO]- 345.218351 189.9
[M+CH3COO]- 359.234001 209.1
[M+Na-2H]- 321.194816 173.4
[M]+ 300.21960142 161.9
[M]- 300.22069858 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