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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.8
[M+Na]+ 377.14718 199.3
[M+NH4]+ 372.19178 191.8
[M+K]+ 393.12112 192.3
[M-H]- 353.15068 189.3
[M+Na-2H]- 375.13263 191.8
[M]+ 354.15741 188.2
[M]- 354.15851 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.