CID 45464

63919-13-1

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]+ 331.144116 178.8
[M+Na]+ 353.126058 187.6
[M-H]- 329.129564 183.4
[M+NH4]+ 348.170663 190.8
[M+K]+ 369.099998 180.9
[M+H-H2O]+ 313.134100 168.1
[M+HCOO]- 375.135041 196.4
[M+CH3COO]- 389.150691 188.8
[M+Na-2H]- 351.111506 186.4
[M]+ 330.13629142 181.2
[M]- 330.13738858 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.