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 178.8
[M+Na]+ 353.12606 187.6
[M-H]- 329.12956 183.4
[M+NH4]+ 348.17066 190.8
[M+K]+ 369.10000 180.9
[M+H-H2O]+ 313.13410 168.1
[M+HCOO]- 375.13504 196.4
[M+CH3COO]- 389.15069 188.8
[M+Na-2H]- 351.11151 186.4
[M]+ 330.13629 181.2
[M]- 330.13739 181.2
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.