CID 3057331

74037-37-9

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CN=CC=C4)O
InChI
InChI=1S/C20H22N2O3/c23-19(25-18-14-22-11-8-15(18)9-12-22)20(24,16-5-2-1-3-6-16)17-7-4-10-21-13-17/h1-7,10,13,15,18,24H,8-9,11-12,14H2
InChIKey
CYPZSLGGUMQHIK-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 175.9
[M+Na]+ 361.15228 176.9
[M-H]- 337.15578 173.7
[M+NH4]+ 356.19688 189.1
[M+K]+ 377.12622 173.1
[M+H-H2O]+ 321.16032 166.5
[M+HCOO]- 383.16126 181.0
[M+CH3COO]- 397.17691 182.1
[M+Na-2H]- 359.13773 186.2
[M]+ 338.16251 175.2
[M]- 338.16361 175.2
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.