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 196.3
[M+Na]+ 441.14208 203.1
[M-H]- 417.14558 202.4
[M+NH4]+ 436.18668 211.2
[M+K]+ 457.11602 199.7
[M+H-H2O]+ 401.15012 183.9
[M+HCOO]- 463.15106 204.9
[M+CH3COO]- 477.16671 204.4
[M+Na-2H]- 439.12753 199.9
[M]+ 418.15231 199.3
[M]- 418.15341 199.3
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.