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 186.8
[M+Na]+ 388.18832 187.3
[M-H]- 364.19182 185.7
[M+NH4]+ 383.23292 200.5
[M+K]+ 404.16226 183.0
[M+H-H2O]+ 348.19636 177.8
[M+HCOO]- 410.19730 192.0
[M+CH3COO]- 424.21295 192.6
[M+Na-2H]- 386.17377 194.5
[M]+ 365.19855 186.7
[M]- 365.19965 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.