CID 5284543

Dihydrocodeine

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O
InChI
InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
InChIKey
RBOXVHNMENFORY-DNJOTXNNSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

424
References

29984
Patents

301.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 170.3
[M+Na]+ 324.15702 182.0
[M+NH4]+ 319.20162 181.8
[M+K]+ 340.13096 175.0
[M-H]- 300.16052 173.8
[M+Na-2H]- 322.14247 170.8
[M]+ 301.16725 173.2
[M]- 301.16835 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe