CID 9925873

Norcodeine

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1
InChI
InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1
InChIKey
HKOIXWVRNLGFOR-KOFBORESSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

1094
Patents

285.1365 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 164.9
[M+Na]+ 308.12572 176.8
[M+NH4]+ 303.17032 176.2
[M+K]+ 324.09966 169.9
[M-H]- 284.12922 168.0
[M+Na-2H]- 306.11117 166.1
[M]+ 285.13595 167.6
[M]- 285.13705 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe