CID 3061332

1-azabicyclo(2.2.2)octan-3-ol, 2-(1h-indol-3-ylphenylmethyl)-, monohydrochloride

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 170.9
[M+Na]+ 355.17809 174.1
[M-H]- 331.18159 169.6
[M+NH4]+ 350.22269 187.0
[M+K]+ 371.15203 167.0
[M+H-H2O]+ 315.18613 161.9
[M+HCOO]- 377.18707 177.0
[M+CH3COO]- 391.20272 177.8
[M+Na-2H]- 353.16354 177.4
[M]+ 332.18832 169.2
[M]- 332.18942 169.2
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.