CID 769352

N-(1-benzyl-4-piperidinyl)-n'-cyclohexylurea

Structural Information

Molecular Formula
C19H29N3O
SMILES
C1CCC(CC1)NC(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H29N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,20,21,23)
InChIKey
NYVAUBXJQMOULV-UHFFFAOYSA-N
Compound name
1-(1-benzylpiperidin-4-yl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.23833 176.5
[M+Na]+ 338.22027 175.3
[M-H]- 314.22377 181.9
[M+NH4]+ 333.26487 187.6
[M+K]+ 354.19421 171.0
[M+H-H2O]+ 298.22831 165.9
[M+HCOO]- 360.22925 192.0
[M+CH3COO]- 374.24490 209.6
[M+Na-2H]- 336.20572 177.6
[M]+ 315.23050 165.5
[M]- 315.23160 165.5
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.