CID 5275758

N-[3-(4-benzyl-1-piperidyl)propyl]-n-phenyl-cyclohexanecarboxamide

Structural Information

Molecular Formula
C28H38N2O
SMILES
C1CCC(CC1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H38N2O/c31-28(26-13-6-2-7-14-26)30(27-15-8-3-9-16-27)20-10-19-29-21-17-25(18-22-29)23-24-11-4-1-5-12-24/h1,3-5,8-9,11-12,15-16,25-26H,2,6-7,10,13-14,17-23H2
InChIKey
MIFAMHDKEKUZGW-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylcyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2984 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.30568 206.4
[M+Na]+ 441.28762 203.0
[M-H]- 417.29112 214.7
[M+NH4]+ 436.33222 213.0
[M+K]+ 457.26156 197.5
[M+H-H2O]+ 401.29566 193.0
[M+HCOO]- 463.29660 219.1
[M+CH3COO]- 477.31225 211.1
[M+Na-2H]- 439.27307 203.5
[M]+ 418.29785 197.2
[M]- 418.29895 197.2
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.