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
2
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 201.7
[M+Na]+ 484.15780 204.0
[M-H]- 460.16130 202.8
[M+NH4]+ 479.20240 209.8
[M+K]+ 500.13174 203.3
[M+H-H2O]+ 444.16584 193.9
[M+HCOO]- 506.16678 199.3
[M+CH3COO]- 520.18243 206.3
[M+Na-2H]- 482.14325 201.3
[M]+ 461.16803 200.4
[M]- 461.16913 200.4
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.