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

3
Patents

339.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 180.8
[M+Na]+ 362.136278 190.1
[M-H]- 338.139784 187.5
[M+NH4]+ 357.180883 194.3
[M+K]+ 378.110218 186.7
[M+H-H2O]+ 322.144320 170.9
[M+HCOO]- 384.145261 202.0
[M+CH3COO]- 398.160911 214.3
[M+Na-2H]- 360.121726 185.1
[M]+ 339.14651142 188.6
[M]- 339.14760858 188.6
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