CID 61119

Alphameprodine

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC[C@H]1CN(CC[C@@]1(C2=CC=CC=C2)OC(=O)CC)C
InChI
InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/t14-,17+/m0/s1
InChIKey
ODEGQXRCQDVXSJ-WMLDXEAASA-N
Compound name
[(3S,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

563
Patents

275.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.1
[M+Na]+ 298.177758 172.2
[M-H]- 274.181264 171.5
[M+NH4]+ 293.222363 183.8
[M+K]+ 314.151698 169.4
[M+H-H2O]+ 258.185800 159.1
[M+HCOO]- 320.186741 184.5
[M+CH3COO]- 334.202391 199.9
[M+Na-2H]- 296.163206 169.1
[M]+ 275.18799142 166.0
[M]- 275.18908858 166.0
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

patents stripe