CID 24845984

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

Structural Information

Molecular Formula
C22H22N2O
SMILES
C1CN2CCC1C(=O)C2C(C3=CC=CC=C3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H22N2O/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/h1-9,14,16,20-21,23H,10-13H2
InChIKey
KNQNDVHVPOATKH-UHFFFAOYSA-N
Compound name
2-[1H-indol-3-yl(phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 170.7
[M+Na]+ 353.16244 174.4
[M-H]- 329.16594 170.6
[M+NH4]+ 348.20704 187.3
[M+K]+ 369.13638 167.4
[M+H-H2O]+ 313.17048 161.1
[M+HCOO]- 375.17142 178.3
[M+CH3COO]- 389.18707 178.2
[M+Na-2H]- 351.14789 177.4
[M]+ 330.17267 169.8
[M]- 330.17377 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.