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
2
Annotation Hits

0
References

58
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 160.0
[M+Na]+ 296.12572 165.6
[M-H]- 272.12922 160.4
[M+NH4]+ 291.17032 179.3
[M+K]+ 312.09966 160.8
[M+H-H2O]+ 256.13376 152.9
[M+HCOO]- 318.13470 166.3
[M+CH3COO]- 332.15035 169.0
[M+Na-2H]- 294.11117 164.6
[M]+ 273.13595 155.0
[M]- 273.13705 155.0
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