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]+ 333.196146 170.9
[M+Na]+ 355.178088 174.1
[M-H]- 331.181594 169.6
[M+NH4]+ 350.222693 187.0
[M+K]+ 371.152028 167.0
[M+H-H2O]+ 315.186130 161.9
[M+HCOO]- 377.187071 177.0
[M+CH3COO]- 391.202721 177.8
[M+Na-2H]- 353.163536 177.4
[M]+ 332.18832142 169.2
[M]- 332.18941858 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.