CID 71751422

Oxymorphone 3-beta-d-glucuronide (1.0mg/ml in acetonitrile)

Structural Information

Molecular Formula
C23H27NO10
SMILES
CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@@H]1CC5=C3C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O4)O
InChI
InChI=1S/C23H27NO10/c1-24-7-6-22-13-9-2-3-11(32-21-16(28)14(26)15(27)18(34-21)20(29)30)17(13)33-19(22)10(25)4-5-23(22,31)12(24)8-9/h2-3,12,14-16,18-19,21,26-28,31H,4-8H2,1H3,(H,29,30)/t12-,14-,15-,16+,18-,19-,21+,22-,23+/m0/s1
InChIKey
ILRLBQVIWURYLX-LIJSDRPBSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[[(4S,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

477.16348 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17076 204.8
[M+Na]+ 500.15270 211.1
[M+NH4]+ 495.19730 211.3
[M+K]+ 516.12664 208.5
[M-H]- 476.15620 205.7
[M+Na-2H]- 498.13815 200.4
[M]+ 477.16293 205.6
[M]- 477.16403 205.6
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.