CID 418320

94213-55-5

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CCN2)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-7,10-12,21H,8-9H2,1-4H3
InChIKey
IKZYPGQHZBTYBP-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 181.3
[M+Na]+ 364.151938 190.2
[M-H]- 340.155444 186.7
[M+NH4]+ 359.196543 194.1
[M+K]+ 380.125878 185.9
[M+H-H2O]+ 324.159980 171.8
[M+HCOO]- 386.160921 201.1
[M+CH3COO]- 400.176571 212.0
[M+Na-2H]- 362.137386 185.2
[M]+ 341.16217142 187.3
[M]- 341.16326858 187.3
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.