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 185.1
[M+Na]+ 377.14718 193.1
[M-H]- 353.15068 191.4
[M+NH4]+ 372.19178 197.3
[M+K]+ 393.12112 190.0
[M+H-H2O]+ 337.15522 175.2
[M+HCOO]- 399.15616 205.8
[M+CH3COO]- 413.17181 219.8
[M+Na-2H]- 375.13263 187.8
[M]+ 354.15741 190.7
[M]- 354.15851 190.7
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.