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]+ 317.20122 166.9
[M+Na]+ 339.18316 169.8
[M-H]- 315.18666 166.5
[M+NH4]+ 334.22776 184.1
[M+K]+ 355.15710 162.6
[M+H-H2O]+ 299.19120 157.2
[M+HCOO]- 361.19214 174.4
[M+CH3COO]- 375.20779 174.3
[M+Na-2H]- 337.16861 174.2
[M]+ 316.19339 164.9
[M]- 316.19449 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.