CID 20055107

Gamma-promedol

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(=O)O[C@]1(C[C@@H](N(C[C@H]1C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3/t13-,14+,17+/m1/s1
InChIKey
UVITTYOJFDLOGI-KEYYUXOJSA-N
Compound name
[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

169
References

9080
Patents

275.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 166.1
[M+Na]+ 298.177758 172.2
[M-H]- 274.181264 171.0
[M+NH4]+ 293.222363 183.2
[M+K]+ 314.151698 169.5
[M+H-H2O]+ 258.185800 158.5
[M+HCOO]- 320.186741 183.6
[M+CH3COO]- 334.202391 201.1
[M+Na-2H]- 296.163206 167.6
[M]+ 275.18799142 165.5
[M]- 275.18908858 165.5
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