CID 45464

Alpha-(6-methoxyquinol-4-yl)isoquinolineethanol dihydrochloride

Structural Information

Molecular Formula
C21H18N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(CC3=NC=CC4=CC=CC=C43)O
InChI
InChI=1S/C21H18N2O2/c1-25-15-6-7-19-18(12-15)17(9-11-22-19)21(24)13-20-16-5-3-2-4-14(16)8-10-23-20/h2-12,21,24H,13H2,1H3
InChIKey
FLGPNOPYGGGZRW-UHFFFAOYSA-N
Compound name
2-isoquinolin-1-yl-1-(6-methoxyquinolin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 179.0
[M+Na]+ 353.12606 197.2
[M+NH4]+ 348.17066 187.8
[M+K]+ 369.10000 187.5
[M-H]- 329.12956 184.4
[M+Na-2H]- 351.11151 189.0
[M]+ 330.13629 183.4
[M]- 330.13739 183.4
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

No patent data available for this compound.