CID 42993

4262 r.p.

Structural Information

Molecular Formula
C20H21NO4
SMILES
COC1=CC=CC(=C1OC)CC2=NC=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C20H21NO4/c1-22-17-7-5-6-14(20(17)25-4)10-16-15-12-19(24-3)18(23-2)11-13(15)8-9-21-16/h5-9,11-12H,10H2,1-4H3
InChIKey
UTQGVEHDPNYUEK-UHFFFAOYSA-N
Compound name
1-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.6
[M+Na]+ 362.13628 197.1
[M+NH4]+ 357.18088 188.4
[M+K]+ 378.11022 188.6
[M-H]- 338.13978 185.3
[M+Na-2H]- 360.12173 188.8
[M]+ 339.14651 184.5
[M]- 339.14761 184.5
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

patents stripe