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
2
Annotation Hits

3
References

108
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

literature stripe

Patent stripe

patents stripe