CID 205241

17656-59-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 182.3
[M+Na]+ 361.15228 190.6
[M-H]- 337.15578 188.6
[M+NH4]+ 356.19688 195.3
[M+K]+ 377.12622 186.7
[M+H-H2O]+ 321.16032 172.7
[M+HCOO]- 383.16126 202.8
[M+CH3COO]- 397.17691 217.6
[M+Na-2H]- 359.13773 184.9
[M]+ 338.16251 186.5
[M]- 338.16361 186.5
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.