CID 10319852

14-nicotinoyloxycodeinone

Structural Information

Molecular Formula
C24H22N2O5
SMILES
CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)C6=CN=CC=C6
InChI
InChI=1S/C24H22N2O5/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/h3-8,10,13,18,21H,9,11-12H2,1-2H3/t18-,21+,23+,24-/m1/s1
InChIKey
WWPZEDRYGOPKQF-QOFIPBISSA-N
Compound name
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-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

418.15286 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 198.3
[M+Na]+ 441.14208 211.6
[M+NH4]+ 436.18668 208.9
[M+K]+ 457.11602 202.6
[M-H]- 417.14558 202.5
[M+Na-2H]- 439.12753 202.2
[M]+ 418.15231 201.8
[M]- 418.15341 201.8
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.