CID 272013

2-methylene-3-quinuclidyl-benzilate hydrochloride

Structural Information

Molecular Formula
C22H23NO3
SMILES
C=C1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H23NO3/c1-16-20(17-12-14-23(16)15-13-17)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,1,12-15H2
InChIKey
OKVJQQKFAIOMIL-UHFFFAOYSA-N
Compound name
(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 177.8
[M+Na]+ 372.15702 189.7
[M+NH4]+ 367.20162 187.0
[M+K]+ 388.13096 182.1
[M-H]- 348.16052 178.8
[M+Na-2H]- 370.14247 179.6
[M]+ 349.16725 179.8
[M]- 349.16835 179.8
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.