CID 3061332

2-(alpha-(3-indolyl)benzyl)-3-quinuclidinol hydrochloride

Structural Information

Molecular Formula
C22H24N2O
SMILES
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)O
InChI
InChI=1S/C22H24N2O/c25-22-16-10-12-24(13-11-16)21(22)20(15-6-2-1-3-7-15)18-14-23-19-9-5-4-8-17(18)19/h1-9,14,16,20-23,25H,10-13H2
InChIKey
XUEBIDAMCPNWLC-UHFFFAOYSA-N
Compound name
2-[1H-indol-3-yl(phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 175.3
[M+Na]+ 355.17809 188.9
[M+NH4]+ 350.22269 186.1
[M+K]+ 371.15203 181.5
[M-H]- 331.18159 177.5
[M+Na-2H]- 353.16354 176.7
[M]+ 332.18832 177.9
[M]- 332.18942 177.9
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.