CID 6437577

Hydroxyethylapoquinine dihydrochloride

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C/C=C/1\CN2CCC1CC2C(CCO)(C3=C4C=C(C=CC4=NC=C3)O)O
InChI
InChI=1S/C21H26N2O3/c1-2-14-13-23-9-6-15(14)11-20(23)21(26,7-10-24)18-5-8-22-19-4-3-16(25)12-17(18)19/h2-5,8,12,15,20,24-26H,6-7,9-11,13H2,1H3/b14-2+
InChIKey
MEYBSMUMDMRJRV-JLZUIIAYSA-N
Compound name
1-[(5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-(6-hydroxyquinolin-4-yl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.19434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 182.7
[M+Na]+ 377.18356 193.5
[M+NH4]+ 372.22816 190.8
[M+K]+ 393.15750 186.4
[M-H]- 353.18706 180.8
[M+Na-2H]- 375.16901 180.2
[M]+ 354.19379 183.6
[M]- 354.19489 183.6
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.