CID 55178

83863-47-2

Structural Information

Molecular Formula
C17H24N2O
SMILES
C1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24N2O/c20-17(19-11-5-2-6-12-19)15-9-13-18(14-10-15)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKey
CBBLZMOXTZYDOM-UHFFFAOYSA-N
Compound name
(1-phenylpiperidin-4-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 167.5
[M+Na]+ 295.17809 168.7
[M-H]- 271.18159 171.9
[M+NH4]+ 290.22269 179.5
[M+K]+ 311.15203 164.6
[M+H-H2O]+ 255.18613 156.6
[M+HCOO]- 317.18707 180.1
[M+CH3COO]- 331.20272 175.5
[M+Na-2H]- 293.16354 168.2
[M]+ 272.18832 157.5
[M]- 272.18942 157.5
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.