CID 247967

10-hydroxy-codeine

Structural Information

Molecular Formula
C18H21NO4
SMILES
CN1CCC23C4C1C(C5=C2C(=C(C=C5)OC)OC3C(C=C4)O)O
InChI
InChI=1S/C18H21NO4/c1-19-8-7-18-10-4-5-11(20)17(18)23-16-12(22-2)6-3-9(13(16)18)15(21)14(10)19/h3-6,10-11,14-15,17,20-21H,7-8H2,1-2H3
InChIKey
ZDGQZOCAKDGPRA-UHFFFAOYSA-N
Compound name
9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

315.14706 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 172.0
[M+Na]+ 338.13628 184.0
[M+NH4]+ 333.18088 182.6
[M+K]+ 354.11022 177.7
[M-H]- 314.13978 174.7
[M+Na-2H]- 336.12173 172.2
[M]+ 315.14651 174.6
[M]- 315.14761 174.6
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.