CID 57354534

3-methoxy-17-methylmorphinan-4,6-diol

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CC[C@]23CC(CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O)O
InChI
InChI=1S/C18H25NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,12-14,20-21H,4-5,7-10H2,1-2H3/t12?,13-,14+,18-/m0/s1
InChIKey
SADZCZSUWMSOCW-HWSKEQOTSA-N
Compound name
(1S,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,13-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 172.9
[M+Na]+ 326.17266 178.6
[M-H]- 302.17616 174.3
[M+NH4]+ 321.21726 190.1
[M+K]+ 342.14660 173.8
[M+H-H2O]+ 286.18070 164.7
[M+HCOO]- 348.18164 181.6
[M+CH3COO]- 362.19729 181.5
[M+Na-2H]- 324.15811 175.8
[M]+ 303.18289 168.0
[M]- 303.18399 168.0
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

No patent data available for this compound.