CID 129839794

Nor-6alpha-oxycodol

Structural Information

Molecular Formula
C17H21NO4
SMILES
COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)[C@H](CC5)O)O)C=C1
InChI
InChI=1S/C17H21NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,10,12,15,18-20H,4-8H2,1H3/t10-,12+,15-,16-,17+/m0/s1
InChIKey
KFWOOLJUSYSBAD-NZQXGWJPSA-N
Compound name
(4R,4aS,7S,7aR,12bS)-9-methoxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

303.14706 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 168.0
[M+Na]+ 326.13628 174.1
[M-H]- 302.13978 168.4
[M+NH4]+ 321.18088 188.0
[M+K]+ 342.11022 169.8
[M+H-H2O]+ 286.14432 160.5
[M+HCOO]- 348.14526 173.8
[M+CH3COO]- 362.16091 176.7
[M+Na-2H]- 324.12173 173.3
[M]+ 303.14651 165.2
[M]- 303.14761 165.2
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.