CID 30060

20232-49-9

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C=C(C=C1)CC2CC3=CC(=C(C=C3C=N2)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-22-17-6-5-13(8-18(17)23-2)7-16-9-14-10-19(24-3)20(25-4)11-15(14)12-21-16/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKey
DJBQMOKXDOEAAA-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.7
[M+Na]+ 364.15194 190.0
[M-H]- 340.15544 188.0
[M+NH4]+ 359.19654 195.1
[M+K]+ 380.12588 186.7
[M+H-H2O]+ 324.15998 171.9
[M+HCOO]- 386.16092 201.5
[M+CH3COO]- 400.17657 214.7
[M+Na-2H]- 362.13739 185.0
[M]+ 341.16217 188.1
[M]- 341.16327 188.1
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.