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]+ 366.20638 183.4
[M+Na]+ 388.18832 195.1
[M+NH4]+ 383.23292 192.6
[M+K]+ 404.16226 187.3
[M-H]- 364.19182 184.5
[M+Na-2H]- 386.17377 185.0
[M]+ 365.19855 185.4
[M]- 365.19965 185.4
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.