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]+ 366.20638 185.3
[M+Na]+ 388.18832 185.0
[M-H]- 364.19182 183.9
[M+NH4]+ 383.23292 198.7
[M+K]+ 404.16226 180.6
[M+H-H2O]+ 348.19636 176.2
[M+HCOO]- 410.19730 190.6
[M+CH3COO]- 424.21295 190.8
[M+Na-2H]- 386.17377 193.8
[M]+ 365.19855 184.9
[M]- 365.19965 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.