CID 5489120

Noroxycodone

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)C=C1
InChI
InChI=1S/C17H19NO4/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/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
InChIKey
RIKMCJUNPCRFMW-ISWURRPUSA-N
Compound name
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3083
References

1005
Patents

301.1314 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 166.4
[M+Na]+ 324.12062 173.1
[M-H]- 300.12412 168.1
[M+NH4]+ 319.16522 187.0
[M+K]+ 340.09456 169.0
[M+H-H2O]+ 284.12866 158.5
[M+HCOO]- 346.12960 173.9
[M+CH3COO]- 360.14525 175.8
[M+Na-2H]- 322.10607 172.0
[M]+ 301.13085 164.5
[M]- 301.13195 164.5
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.