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

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 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

No literature data available for this compound.

Patent stripe

patents stripe