CID 3039185

42473-48-3

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC(=O)O[C@]1(CCN([C@@H]([C@H]1C)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-4-20(24)25-22(19-13-9-6-10-14-19)15-16-23(3)21(17(22)2)18-11-7-5-8-12-18/h5-14,17,21H,4,15-16H2,1-3H3/t17-,21+,22+/m1/s1
InChIKey
GUYCTDLSRQZDIV-WTNAPCKOSA-N
Compound name
[(2S,3R,4S)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 184.0
[M+Na]+ 360.193418 189.0
[M-H]- 336.196924 191.5
[M+NH4]+ 355.238023 197.7
[M+K]+ 376.167358 184.6
[M+H-H2O]+ 320.201460 173.9
[M+HCOO]- 382.202401 200.9
[M+CH3COO]- 396.218051 211.9
[M+Na-2H]- 358.178866 184.9
[M]+ 337.20365142 182.2
[M]- 337.20474858 182.2
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.