CID 38370

39964-73-3

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₄

SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)N)OC

InChI

InChI=1S/C20H22N2O4/c1-23-15-6-5-13(10-16(15)24-2)19(21)20-14-11-18(26-4)17(25-3)9-12(14)7-8-22-20/h5-11,19H,21H2,1-4H3

InChIKey

XWBMYSLAWCIYBM-UHFFFAOYSA-N

Compound name

(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 354.15796 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.165236	185.1
[M+Na]+	377.147178	193.1
[M-H]-	353.150684	191.4
[M+NH4]+	372.191783	197.3
[M+K]+	393.121118	190.0
[M+H-H2O]+	337.155220	175.2
[M+HCOO]-	399.156161	205.8
[M+CH3COO]-	413.171811	219.8
[M+Na-2H]-	375.132626	187.8
[M]+	354.15741142	190.7
[M]-	354.15850858	190.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.