CID 5360241

6alpha-oxycodol

Structural Information

Molecular Formula
C18H23NO4
SMILES
CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O
InChI
InChI=1S/C18H23NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+/m0/s1
InChIKey
LHTAJTFGGUDLRH-QMVVXIJUSA-N
Compound name
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

223
Patents

317.16272 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 173.5
[M+Na]+ 340.15194 184.2
[M+NH4]+ 335.19654 185.4
[M+K]+ 356.12588 176.2
[M-H]- 316.15544 175.8
[M+Na-2H]- 338.13739 174.4
[M]+ 317.16217 175.9
[M]- 317.16327 175.9
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

patents stripe