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]+ 421.17580 197.5
[M+Na]+ 443.15774 203.6
[M-H]- 419.16124 202.3
[M+NH4]+ 438.20234 211.8
[M+K]+ 459.13168 200.2
[M+H-H2O]+ 403.16578 185.6
[M+HCOO]- 465.16672 204.4
[M+CH3COO]- 479.18237 205.0
[M+Na-2H]- 441.14319 200.8
[M]+ 420.16797 199.7
[M]- 420.16907 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.