CID 380209

Cis-2-methyl-3-quinuclidyl benzilate hydrochloride

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H25NO3/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/h2-11,16-17,20,25H,12-15H2,1H3
InChIKey
QSORIMPJWKHJNL-UHFFFAOYSA-N
Compound name
(2-methyl-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

2
Patents

351.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 179.0
[M+Na]+ 374.17266 190.8
[M+NH4]+ 369.21726 188.4
[M+K]+ 390.14660 183.3
[M-H]- 350.17616 180.2
[M+Na-2H]- 372.15811 180.8
[M]+ 351.18289 181.1
[M]- 351.18399 181.1
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

patents stripe