CID 56551

3-(azabicyclo(2.2.2)oct-2-ene)methyl benzilate

Structural Information

Molecular Formula
C22H23NO3
SMILES
C1CN2CCC1C(=C2)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H23NO3/c24-21(26-16-18-15-23-13-11-17(18)12-14-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15,17,25H,11-14,16H2
InChIKey
GNTSUYVDHWLRIS-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 178.3
[M+Na]+ 372.15702 190.7
[M+NH4]+ 367.20162 187.7
[M+K]+ 388.13096 182.7
[M-H]- 348.16052 179.6
[M+Na-2H]- 370.14247 181.2
[M]+ 349.16725 180.5
[M]- 349.16835 180.5
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.