CID 380379

Nsc665895

Structural Information

Molecular Formula
C22H29NO3
SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCC3=C4CCN(C3)CC4)O
InChI
InChI=1S/C22H29NO3/c24-21(26-15-12-18-16-23-13-10-17(18)11-14-23)22(25,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,20,25H,4-5,8-16H2
InChIKey
OFIWRJXKFPAUIZ-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 182.9
[M+Na]+ 378.20397 182.1
[M-H]- 354.20747 181.5
[M+NH4]+ 373.24857 198.7
[M+K]+ 394.17791 178.0
[M+H-H2O]+ 338.21201 175.4
[M+HCOO]- 400.21295 188.1
[M+CH3COO]- 414.22860 188.7
[M+Na-2H]- 376.18942 188.0
[M]+ 355.21420 181.8
[M]- 355.21530 181.8
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.