CID 3070963

6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-3-(4-tolyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C27H31NO4
SMILES
CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3C(N2)CC4=CC(=C(C=C4)OC)OC)OC)OC
InChI
InChI=1S/C27H31NO4/c1-17-6-9-19(10-7-17)22-14-20-15-26(31-4)27(32-5)16-21(20)23(28-22)12-18-8-11-24(29-2)25(13-18)30-3/h6-11,13,15-16,22-23,28H,12,14H2,1-5H3
InChIKey
DBWHHBNTMMBJHA-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.23258 210.4
[M+Na]+ 456.21452 226.6
[M+NH4]+ 451.25912 217.7
[M+K]+ 472.18846 217.0
[M-H]- 432.21802 216.9
[M+Na-2H]- 454.19997 217.8
[M]+ 433.22475 214.8
[M]- 433.22585 214.8
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.