CID 6915719

Dihydro normorphine

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1C[C@@H]([C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)NCC4)O
InChI
InChI=1S/C16H19NO3/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/h1,3,9-10,12,15,17-19H,2,4-7H2/t9-,10+,12-,15-,16-/m0/s1
InChIKey
HVQUMOKQAJNIKK-ZTYRTETDSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

273.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 161.7
[M+Na]+ 296.12572 172.4
[M+NH4]+ 291.17032 172.8
[M+K]+ 312.09966 166.2
[M-H]- 272.12922 164.1
[M+Na-2H]- 294.11117 161.8
[M]+ 273.13595 163.9
[M]- 273.13705 163.9
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.