CID 59055

101834-44-0

Structural Information

Molecular Formula
C23H29NO4
SMILES
C1CCC2(C1)CC(OC2=O)(CC(=O)OC3CN4CCC3CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H29NO4/c25-20(27-19-15-24-12-8-17(19)9-13-24)14-23(18-6-2-1-3-7-18)16-22(21(26)28-23)10-4-5-11-22/h1-3,6-7,17,19H,4-5,8-16H2
InChIKey
UQOGNXAGMVIZRK-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-(1-oxo-3-phenyl-2-oxaspiro[4.4]nonan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 183.5
[M+Na]+ 406.19888 185.0
[M-H]- 382.20238 186.5
[M+NH4]+ 401.24348 203.3
[M+K]+ 422.17282 181.3
[M+H-H2O]+ 366.20692 174.8
[M+HCOO]- 428.20786 188.7
[M+CH3COO]- 442.22351 190.4
[M+Na-2H]- 404.18433 185.5
[M]+ 383.20911 182.0
[M]- 383.21021 182.0
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.