CID 11858257

2-[1-(3-benzyloxypropyl)-3-piperidyl]-2,2-diphenyl-acetamide

Structural Information

Molecular Formula
C29H34N2O2
SMILES
C1CC(CN(C1)CCCOCC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C29H34N2O2/c30-28(32)29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-19-31(22-27)20-11-21-33-23-24-12-4-1-5-13-24/h1-9,12-17,27H,10-11,18-23H2,(H2,30,32)
InChIKey
KINBSJSKBLEGQH-UHFFFAOYSA-N
Compound name
2,2-diphenyl-2-[1-(3-phenylmethoxypropyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.26202 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 210.5
[M+Na]+ 465.25124 209.8
[M-H]- 441.25474 218.2
[M+NH4]+ 460.29584 215.4
[M+K]+ 481.22518 203.2
[M+H-H2O]+ 425.25928 197.6
[M+HCOO]- 487.26022 224.6
[M+CH3COO]- 501.27587 232.1
[M+Na-2H]- 463.23669 211.1
[M]+ 442.26147 204.7
[M]- 442.26257 204.7
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.