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

9029
Patents

275.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.1
[M+Na]+ 298.17776 172.2
[M-H]- 274.18126 171.0
[M+NH4]+ 293.22236 183.2
[M+K]+ 314.15170 169.5
[M+H-H2O]+ 258.18580 158.5
[M+HCOO]- 320.18674 183.6
[M+CH3COO]- 334.20239 201.1
[M+Na-2H]- 296.16321 167.6
[M]+ 275.18799 165.5
[M]- 275.18909 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.