CID 58823

101711-13-1

Structural Information

Molecular Formula
C23H27NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C(CCC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H27NO3/c25-22(27-21-17-24-15-12-19(21)13-16-24)23(26,20-9-5-2-6-10-20)14-11-18-7-3-1-4-8-18/h1-10,19,21,26H,11-17H2
InChIKey
GPVIJQIWNQUTQF-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 185.3
[M+Na]+ 388.188318 185.0
[M-H]- 364.191824 183.9
[M+NH4]+ 383.232923 198.7
[M+K]+ 404.162258 180.6
[M+H-H2O]+ 348.196360 176.2
[M+HCOO]- 410.197301 190.6
[M+CH3COO]- 424.212951 190.8
[M+Na-2H]- 386.173766 193.8
[M]+ 365.19855142 184.9
[M]- 365.19964858 184.9
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.