CID 429706

2-ethyl-3-quinuclidyl benzilate

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H27NO3/c1-2-20-21(17-13-15-24(20)16-14-17)27-22(25)23(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21,26H,2,13-16H2,1H3
InChIKey
UWUJLHYQCAEYBJ-UHFFFAOYSA-N
Compound name
(2-ethyl-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

365.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 186.8
[M+Na]+ 388.188318 187.3
[M-H]- 364.191824 185.7
[M+NH4]+ 383.232923 200.5
[M+K]+ 404.162258 183.0
[M+H-H2O]+ 348.196360 177.8
[M+HCOO]- 410.197301 192.0
[M+CH3COO]- 424.212951 192.6
[M+Na-2H]- 386.173766 194.5
[M]+ 365.19855142 186.7
[M]- 365.19964858 186.7
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.