CID 3041659

Beta-cis-2-(4'-chlorobenzhydryl)-3-quinuclidinol

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CN2CCC1[C@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)19-20(23)16-10-12-22(19)13-11-16/h1-9,16,18-20,23H,10-13H2/t18?,19-,20+/m0/s1
InChIKey
JXCMZYHEZWCLOD-NRRUETGQSA-N
Compound name
(2S,3R)-2-[(4-chlorophenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13898 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.146256 173.5
[M+Na]+ 350.128198 177.0
[M-H]- 326.131704 173.1
[M+NH4]+ 345.172803 190.2
[M+K]+ 366.102138 170.5
[M+H-H2O]+ 310.136240 165.5
[M+HCOO]- 372.137181 176.7
[M+CH3COO]- 386.152831 180.9
[M+Na-2H]- 348.113646 180.3
[M]+ 327.13843142 173.7
[M]- 327.13952858 173.7
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.