CID 645839

2,2-diphenyl-3-hydroxy-propionic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C22H25NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO3/c24-16-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(25)26-20-15-23-13-11-17(20)12-14-23/h1-10,17,20,24H,11-16H2
InChIKey
VHKOZTIPJRRUQY-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 179.1
[M+Na]+ 374.17266 190.6
[M+NH4]+ 369.21726 188.5
[M+K]+ 390.14660 182.9
[M-H]- 350.17616 180.2
[M+Na-2H]- 372.15811 181.2
[M]+ 351.18289 181.1
[M]- 351.18399 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.