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 193.8
[M+Na]+ 381.19372 202.9
[M-H]- 357.19722 195.3
[M+NH4]+ 376.23832 204.7
[M+K]+ 397.16766 190.2
[M+H-H2O]+ 341.20176 177.8
[M+HCOO]- 403.20270 202.0
[M+CH3COO]- 417.21835 199.8
[M+Na-2H]- 379.17917 192.1
[M]+ 358.20395 183.8
[M]- 358.20505 183.8
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.