CID 15286253

14-hydroxymorphine-6-one

Structural Information

Molecular Formula
C17H17NO4
SMILES
CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C17H17NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-5,12,15,19,21H,6-8H2,1H3/t12-,15+,16+,17-/m1/s1
InChIKey
VFNHLTBRAFJQER-ISWURRPUSA-N
Compound name
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

299.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 167.0
[M+Na]+ 322.10497 178.9
[M+NH4]+ 317.14957 178.9
[M+K]+ 338.07891 170.9
[M-H]- 298.10847 169.4
[M+Na-2H]- 320.09042 169.0
[M]+ 299.11520 169.7
[M]- 299.11630 169.7
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