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
6
Annotation Hits

49
References

1196
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 163.1
[M+Na]+ 308.12572 169.6
[M-H]- 284.12922 165.1
[M+NH4]+ 303.17032 182.7
[M+K]+ 324.09966 165.2
[M+H-H2O]+ 268.13376 155.3
[M+HCOO]- 330.13470 172.0
[M+CH3COO]- 344.15035 172.8
[M+Na-2H]- 306.11117 168.4
[M]+ 285.13595 161.4
[M]- 285.13705 161.4
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.