CID 71751177

Norcodeine o-beta-d-glucuronid

Structural Information

Molecular Formula
C23H27NO9
SMILES
COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C=C1
InChI
InChI=1S/C23H27NO9/c1-30-12-4-2-9-8-11-10-3-5-13(20-23(10,6-7-24-11)14(9)18(12)32-20)31-22-17(27)15(25)16(26)19(33-22)21(28)29/h2-5,10-11,13,15-17,19-20,22,24-27H,6-8H2,1H3,(H,28,29)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChIKey
YWEYZPZIMCQHFM-GAROZEBRSA-N
Compound name
(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.16858 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.17586 203.7
[M+Na]+ 484.15780 211.2
[M+NH4]+ 479.20240 209.8
[M+K]+ 500.13174 209.3
[M-H]- 460.16130 205.6
[M+Na-2H]- 482.14325 199.1
[M]+ 461.16803 205.0
[M]- 461.16913 205.0
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.