CID 122173928

14-phenylacetoxycodeine hcl

Structural Information

Molecular Formula
C26H27NO5
SMILES
CN1CC[C@]23[C@@H]4[C@H](C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)CC6=CC=CC=C6)O
InChI
InChI=1S/C26H27NO5/c1-27-13-12-25-22-17-8-9-19(30-2)23(22)31-24(25)18(28)10-11-26(25,20(27)15-17)32-21(29)14-16-6-4-3-5-7-16/h3-11,18,20,24,28H,12-15H2,1-2H3/t18-,20+,24-,25-,26+/m0/s1
InChIKey
OPPFATVZPRYYBN-MFYLVTQTSA-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] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.18893 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19621 203.5
[M+Na]+ 456.17815 216.0
[M+NH4]+ 451.22275 214.6
[M+K]+ 472.15209 206.6
[M-H]- 432.18165 208.2
[M+Na-2H]- 454.16360 206.9
[M]+ 433.18838 207.0
[M]- 433.18948 207.0
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.