CID 5492872

3-methoxy-17-methylmorphinan-4-ol

Structural Information

Molecular Formula
C18H25NO2
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O
InChI
InChI=1S/C18H25NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h6-7,13-14,20H,3-5,8-11H2,1-2H3/t13-,14+,18+/m0/s1
InChIKey
FOMOAEUYWZDTNS-PMUMKWKESA-N
Compound name
(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

287.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 169.5
[M+Na]+ 310.177758 174.8
[M-H]- 286.181264 171.9
[M+NH4]+ 305.222363 187.8
[M+K]+ 326.151698 170.0
[M+H-H2O]+ 270.185800 160.6
[M+HCOO]- 332.186741 179.6
[M+CH3COO]- 346.202391 178.6
[M+Na-2H]- 308.163206 173.1
[M]+ 287.18799142 164.4
[M]- 287.18908858 164.4
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