CID 217617

Icig 778

Structural Information

Molecular Formula
C24H26N2O
SMILES
CC(C1CN(CCC1(C#C)O)CC2=CC=CC=C2)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C24H26N2O/c1-3-24(27)13-14-26(16-19-9-5-4-6-10-19)17-22(24)18(2)21-15-25-23-12-8-7-11-20(21)23/h1,4-12,15,18,22,25,27H,13-14,16-17H2,2H3
InChIKey
OUYNHZITBWSXDY-UHFFFAOYSA-N
Compound name
1-benzyl-4-ethynyl-3-[1-(1H-indol-3-yl)ethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 190.1
[M+Na]+ 381.19372 203.6
[M+NH4]+ 376.23832 195.5
[M+K]+ 397.16766 191.7
[M-H]- 357.19722 186.6
[M+Na-2H]- 379.17917 195.0
[M]+ 358.20395 190.4
[M]- 358.20505 190.4
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.