CID 3063907

Alpha-phenyl-2-norbornaneglycolic acid 3-quinuclidinyl ester

Structural Information

Molecular Formula
C22H29NO3
SMILES
C1CC2CC1CC2C(C3=CC=CC=C3)(C(=O)OC4CN5CCC4CC5)O
InChI
InChI=1S/C22H29NO3/c24-21(26-20-14-23-10-8-16(20)9-11-23)22(25,18-4-2-1-3-5-18)19-13-15-6-7-17(19)12-15/h1-5,15-17,19-20,25H,6-14H2
InChIKey
HXXZVHVAXDKIKB-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-(2-bicyclo[2.2.1]heptanyl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 178.2
[M+Na]+ 378.20397 177.2
[M-H]- 354.20747 176.5
[M+NH4]+ 373.24857 197.0
[M+K]+ 394.17791 172.9
[M+H-H2O]+ 338.21201 172.1
[M+HCOO]- 400.21295 180.6
[M+CH3COO]- 414.22860 183.9
[M+Na-2H]- 376.18942 181.0
[M]+ 355.21420 175.9
[M]- 355.21530 175.9
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.