CID 3061330

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

Structural Information

Molecular Formula
C22H24N2
SMILES
C1CN2CCC1CC2C(C3=CC=CC=C3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H24N2/c1-2-6-17(7-3-1)22(21-14-16-10-12-24(21)13-11-16)19-15-23-20-9-5-4-8-18(19)20/h1-9,15-16,21-23H,10-14H2
InChIKey
PJPBOAMSTQQBIO-UHFFFAOYSA-N
Compound name
3-[1-azabicyclo[2.2.2]octan-2-yl(phenyl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 166.9
[M+Na]+ 339.183158 169.8
[M-H]- 315.186664 166.5
[M+NH4]+ 334.227763 184.1
[M+K]+ 355.157098 162.6
[M+H-H2O]+ 299.191200 157.2
[M+HCOO]- 361.192141 174.4
[M+CH3COO]- 375.207791 174.3
[M+Na-2H]- 337.168606 174.2
[M]+ 316.19339142 164.9
[M]- 316.19448858 164.9
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.