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]+ 339.170336 181.5
[M+Na]+ 361.152278 190.1
[M-H]- 337.155784 188.2
[M+NH4]+ 356.196883 194.8
[M+K]+ 377.126218 185.9
[M+H-H2O]+ 321.160320 171.6
[M+HCOO]- 383.161261 203.6
[M+CH3COO]- 397.176911 217.3
[M+Na-2H]- 359.137726 186.3
[M]+ 338.16251142 187.2
[M]- 338.16360858 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.