CID 215873

1-(9-oxobicyclo(3.3.1)non-2-yl)-4-phenyl-4-piperidinecarboxylic acid 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]+ 370.23768 192.4
[M+Na]+ 392.21962 193.4
[M-H]- 368.22312 197.1
[M+NH4]+ 387.26422 205.4
[M+K]+ 408.19356 188.9
[M+H-H2O]+ 352.22766 181.6
[M+HCOO]- 414.22860 201.2
[M+CH3COO]- 428.24425 198.8
[M+Na-2H]- 390.20507 191.5
[M]+ 369.22985 184.8
[M]- 369.23095 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.