CID 10355824

Norhydromorphone

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1CC(=O)[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)NCC4
InChI
InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1,3,9-10,15,17-18H,2,4-7H2/t9-,10+,15-,16-/m0/s1
InChIKey
SWIRXSKBBSJXGY-UIHHKEIPSA-N
Compound name
(4R,4aR,7aR,12bS)-9-hydroxy-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

138
Patents

271.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 158.7
[M+Na]+ 294.11007 164.9
[M-H]- 270.11357 160.4
[M+NH4]+ 289.15467 178.6
[M+K]+ 310.08401 160.2
[M+H-H2O]+ 254.11811 151.2
[M+HCOO]- 316.11905 166.6
[M+CH3COO]- 330.13470 168.3
[M+Na-2H]- 292.09552 163.6
[M]+ 271.12030 154.5
[M]- 271.12140 154.5
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.