CID 23056

3-quinuclidinyl benzilate

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
InChIKey
HGMITUYOCPPQLE-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2123
References

1718
Patents

337.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 174.7
[M+Na]+ 360.15702 186.4
[M+NH4]+ 355.20162 184.2
[M+K]+ 376.13096 178.9
[M-H]- 336.16052 175.8
[M+Na-2H]- 358.14247 177.0
[M]+ 337.16725 176.7
[M]- 337.16835 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe