CID 218424

1-phenethyl-3-piperidyl piperidino ketone

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCN(CC1)C(=O)C2CCCN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/c22-19(21-13-5-2-6-14-21)18-10-7-12-20(16-18)15-11-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16H2
InChIKey
VWQBAXUGMPGYLU-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-3-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 177.5
[M+Na]+ 323.20937 189.0
[M+NH4]+ 318.25397 185.5
[M+K]+ 339.18331 180.7
[M-H]- 299.21287 182.5
[M+Na-2H]- 321.19482 184.5
[M]+ 300.21960 180.4
[M]- 300.22070 180.4
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.