CID 5359421

Dihydromorphine

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O
InChI
InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey
IJVCSMSMFSCRME-KBQPJGBKSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

256
References

16639
Patents

287.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 165.9
[M+Na]+ 310.14135 177.3
[M+NH4]+ 305.18595 177.2
[M+K]+ 326.11529 170.8
[M-H]- 286.14485 168.9
[M+Na-2H]- 308.12680 166.1
[M]+ 287.15158 168.5
[M]- 287.15268 168.5
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