CID 6913046

Ethylapoquinine dihydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCC(C1CC\2CCN1C/C2=C/C)(C3=C4C=C(C=CC4=NC=C3)O)O
InChI
InChI=1S/C21H26N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(25,4-2)18-7-9-22-19-6-5-16(24)12-17(18)19/h3,5-7,9,12,15,20,24-25H,4,8,10-11,13H2,1-2H3/b14-3-
InChIKey
JPYXNAYXYRXOCI-BNNQUZSASA-N
Compound name
4-[1-[(5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-hydroxypropyl]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 180.2
[M+Na]+ 361.18865 192.0
[M+NH4]+ 356.23325 189.3
[M+K]+ 377.16259 184.1
[M-H]- 337.19215 179.3
[M+Na-2H]- 359.17410 178.7
[M]+ 338.19888 181.7
[M]- 338.19998 181.7
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.