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]+ 350.175076 181.1
[M+Na]+ 372.157018 182.4
[M-H]- 348.160524 180.3
[M+NH4]+ 367.201623 195.3
[M+K]+ 388.130958 177.7
[M+H-H2O]+ 332.165060 172.4
[M+HCOO]- 394.166001 186.9
[M+CH3COO]- 408.181651 187.4
[M+Na-2H]- 370.142466 189.4
[M]+ 349.16725142 180.1
[M]- 349.16834858 180.1
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.