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]+ 338.21148 184.0
[M+Na]+ 360.19342 189.0
[M-H]- 336.19692 191.5
[M+NH4]+ 355.23802 197.7
[M+K]+ 376.16736 184.6
[M+H-H2O]+ 320.20146 173.9
[M+HCOO]- 382.20240 200.9
[M+CH3COO]- 396.21805 211.9
[M+Na-2H]- 358.17887 184.9
[M]+ 337.20365 182.2
[M]- 337.20475 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.