CID 59053

2-oxaspiro(4.5)decane-3-acetic acid, 1-oxo-3-phenyl-, 1-methyl-4-piperidyl ester

Structural Information

Molecular Formula
C23H31NO4
SMILES
CN1CCC(CC1)OC(=O)CC2(CCC3(CCCC3)C(=O)O2)C4=CC=CC=C4
InChI
InChI=1S/C23H31NO4/c1-24-15-9-19(10-16-24)27-20(25)17-23(18-7-3-2-4-8-18)14-13-22(21(26)28-23)11-5-6-12-22/h2-4,7-8,19H,5-6,9-17H2,1H3
InChIKey
UPRSSKYJUJQCLE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(6-oxo-8-phenyl-7-oxaspiro[4.5]decan-8-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2253 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.5
[M+Na]+ 408.21452 197.2
[M-H]- 384.21802 204.3
[M+NH4]+ 403.25912 209.0
[M+K]+ 424.18846 194.7
[M+H-H2O]+ 368.22256 185.6
[M+HCOO]- 430.22350 206.5
[M+CH3COO]- 444.23915 202.9
[M+Na-2H]- 406.19997 193.5
[M]+ 385.22475 188.6
[M]- 385.22585 188.6
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.