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]+ 301.227426 176.2
[M+Na]+ 323.209368 176.5
[M-H]- 299.212874 180.2
[M+NH4]+ 318.253973 187.0
[M+K]+ 339.183308 172.0
[M+H-H2O]+ 283.217410 164.9
[M+HCOO]- 345.218351 188.1
[M+CH3COO]- 359.234001 183.3
[M+Na-2H]- 321.194816 175.8
[M]+ 300.21960142 166.9
[M]- 300.22069858 166.9
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.