CID 11742873

14-nicotinoyloxycodeine dihydrochloride

Structural Information

Molecular Formula
C24H24N2O5
SMILES
CN1CC[C@]23[C@@H]4[C@H](C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)C6=CN=CC=C6)O
InChI
InChI=1S/C24H24N2O5/c1-26-11-9-23-19-14-5-6-17(29-2)20(19)30-21(23)16(27)7-8-24(23,18(26)12-14)31-22(28)15-4-3-10-25-13-15/h3-8,10,13,16,18,21,27H,9,11-12H2,1-2H3/t16-,18+,21-,23-,24+/m0/s1
InChIKey
RZPPICCVRVYOMU-NSZXSFTFSA-N
Compound name
[(4R,4aS,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.16852 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.175796 197.5
[M+Na]+ 443.157738 203.6
[M-H]- 419.161244 202.3
[M+NH4]+ 438.202343 211.8
[M+K]+ 459.131678 200.2
[M+H-H2O]+ 403.165780 185.6
[M+HCOO]- 465.166721 204.4
[M+CH3COO]- 479.182371 205.0
[M+Na-2H]- 441.143186 200.8
[M]+ 420.16797142 199.7
[M]- 420.16906858 199.7
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.