CID 215873

4-piperidinecarboxylic acid, 1-(9-oxobicyclo(3.3.1)non-2-yl)-4-phenyl-, ethyl ester, maleate

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCOC(=O)C1(CCN(CC1)C2CCC3CCCC2C3=O)C4=CC=CC=C4
InChI
InChI=1S/C23H31NO3/c1-2-27-22(26)23(18-8-4-3-5-9-18)13-15-24(16-14-23)20-12-11-17-7-6-10-19(20)21(17)25/h3-5,8-9,17,19-20H,2,6-7,10-16H2,1H3
InChIKey
LNURFOFRZJJUHI-UHFFFAOYSA-N
Compound name
ethyl 1-(9-oxo-2-bicyclo[3.3.1]nonanyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 192.4
[M+Na]+ 392.219618 193.4
[M-H]- 368.223124 197.1
[M+NH4]+ 387.264223 205.4
[M+K]+ 408.193558 188.9
[M+H-H2O]+ 352.227660 181.6
[M+HCOO]- 414.228601 201.2
[M+CH3COO]- 428.244251 198.8
[M+Na-2H]- 390.205066 191.5
[M]+ 369.22985142 184.8
[M]- 369.23094858 184.8
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.