CID 3008328

Benzyl n-[3-(4-benzyl-1-piperidyl)propyl]-n-phenyl-carbamate

Structural Information

Molecular Formula
C29H34N2O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C29H34N2O2/c32-29(33-24-27-13-6-2-7-14-27)31(28-15-8-3-9-16-28)20-10-19-30-21-17-26(18-22-30)23-25-11-4-1-5-12-25/h1-9,11-16,26H,10,17-24H2
InChIKey
LDOZETDEGXEXJK-UHFFFAOYSA-N
Compound name
benzyl N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.26202 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 211.7
[M+Na]+ 465.25124 210.8
[M-H]- 441.25474 221.0
[M+NH4]+ 460.29584 217.5
[M+K]+ 481.22518 205.2
[M+H-H2O]+ 425.25928 197.9
[M+HCOO]- 487.26022 228.4
[M+CH3COO]- 501.27587 234.0
[M+Na-2H]- 463.23669 211.4
[M]+ 442.26147 208.3
[M]- 442.26257 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.