CID 19073920

Codeine-n-oxide

Structural Information

Molecular Formula
C18H21NO4
SMILES
C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)[O-]
InChI
InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
InChIKey
BDLSDHWCOJPHIE-UHFFFAOYSA-N
Compound name
9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

590
Patents

315.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 171.5
[M+Na]+ 338.13628 185.0
[M+NH4]+ 333.18088 184.4
[M+K]+ 354.11022 178.0
[M-H]- 314.13978 175.8
[M+Na-2H]- 336.12173 173.8
[M]+ 315.14651 175.0
[M]- 315.14761 175.0
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.