CID 43481

60789-94-8

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKey
NCYHUVAPYMVPKC-UHFFFAOYSA-N
Compound name
ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 191.2
[M+Na]+ 388.18832 193.6
[M-H]- 364.19182 197.6
[M+NH4]+ 383.23292 202.7
[M+K]+ 404.16226 189.5
[M+H-H2O]+ 348.19636 180.5
[M+HCOO]- 410.19730 207.0
[M+CH3COO]- 424.21295 214.6
[M+Na-2H]- 386.17377 191.8
[M]+ 365.19855 188.9
[M]- 365.19965 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.