CID 131770048

Hydromorphone-3-glucoside

Structural Information

Molecular Formula
C23H29NO8
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O[C@H]3C(=O)CC4
InChI
InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-4-13(26)21(23)32-20-14(5-2-10(16(20)23)8-12(11)24)30-22-19(29)18(28)17(27)15(9-25)31-22/h2,5,11-12,15,17-19,21-22,25,27-29H,3-4,6-9H2,1H3/t11-,12+,15?,17?,18?,19?,21-,22?,23-/m0/s1
InChIKey
LAZTZBKWNKFJLP-FBSPHTLJSA-N
Compound name
(4R,4aR,7aR,12bS)-3-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.18933 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19661 203.0
[M+Na]+ 470.17855 211.3
[M+NH4]+ 465.22315 210.1
[M+K]+ 486.15249 208.1
[M-H]- 446.18205 205.9
[M+Na-2H]- 468.16400 198.5
[M]+ 447.18878 204.8
[M]- 447.18988 204.8
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

patents stripe