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 176.2
[M+Na]+ 323.20937 176.5
[M-H]- 299.21287 180.2
[M+NH4]+ 318.25397 187.0
[M+K]+ 339.18331 172.0
[M+H-H2O]+ 283.21741 164.9
[M+HCOO]- 345.21835 188.1
[M+CH3COO]- 359.23400 183.3
[M+Na-2H]- 321.19482 175.8
[M]+ 300.21960 166.9
[M]- 300.22070 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.