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 186.6
[M+Na]+ 377.18356 189.0
[M-H]- 353.18706 180.1
[M+NH4]+ 372.22816 199.8
[M+K]+ 393.15750 183.1
[M+H-H2O]+ 337.19160 178.6
[M+HCOO]- 399.19254 187.3
[M+CH3COO]- 413.20819 191.4
[M+Na-2H]- 375.16901 194.8
[M]+ 354.19379 185.7
[M]- 354.19489 185.7
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.