CID 205245

Isoquinoline, 1-(alpha-amino-p-methoxybenzyl)-6,7-dimethoxy-3-methyl-, dihydrochloride

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CC1=CC2=CC(=C(C=C2C(=N1)CNC3=CC=C(C=C3)OC)OC)OC
InChI
InChI=1S/C20H22N2O3/c1-13-9-14-10-19(24-3)20(25-4)11-17(14)18(22-13)12-21-15-5-7-16(23-2)8-6-15/h5-11,21H,12H2,1-4H3
InChIKey
BFPJATSIQIVGOD-UHFFFAOYSA-N
Compound name
N-[(6,7-dimethoxy-3-methylisoquinolin-1-yl)methyl]-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.5
[M+Na]+ 361.15228 190.1
[M-H]- 337.15578 188.2
[M+NH4]+ 356.19688 194.8
[M+K]+ 377.12622 185.9
[M+H-H2O]+ 321.16032 171.6
[M+HCOO]- 383.16126 203.6
[M+CH3COO]- 397.17691 217.3
[M+Na-2H]- 359.13773 186.3
[M]+ 338.16251 187.2
[M]- 338.16361 187.2
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.