CID 58973

Indole, 3-(1-phenethyl-2-piperidylmethyl)-

Structural Information

Molecular Formula
C22H26N2
SMILES
C1CCN(C(C1)CC2=CNC3=CC=CC=C32)CCC4=CC=CC=C4
InChI
InChI=1S/C22H26N2/c1-2-8-18(9-3-1)13-15-24-14-7-6-10-20(24)16-19-17-23-22-12-5-4-11-21(19)22/h1-5,8-9,11-12,17,20,23H,6-7,10,13-16H2
InChIKey
GXDYKMUTMGOMMZ-UHFFFAOYSA-N
Compound name
3-[[1-(2-phenylethyl)piperidin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 180.6
[M+Na]+ 341.19882 195.8
[M+NH4]+ 336.24342 189.9
[M+K]+ 357.17276 187.0
[M-H]- 317.20232 187.0
[M+Na-2H]- 339.18427 189.9
[M]+ 318.20905 184.7
[M]- 318.21015 184.7
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.