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 181.1
[M+Na]+ 372.15702 182.4
[M-H]- 348.16052 180.3
[M+NH4]+ 367.20162 195.3
[M+K]+ 388.13096 177.7
[M+H-H2O]+ 332.16506 172.4
[M+HCOO]- 394.16600 186.9
[M+CH3COO]- 408.18165 187.4
[M+Na-2H]- 370.14247 189.4
[M]+ 349.16725 180.1
[M]- 349.16835 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.