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

1
Patents

433.2253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.232576 210.1
[M+Na]+ 456.214518 216.5
[M-H]- 432.218024 217.6
[M+NH4]+ 451.259123 218.6
[M+K]+ 472.188458 211.1
[M+H-H2O]+ 416.222560 198.4
[M+HCOO]- 478.223501 225.5
[M+CH3COO]- 492.239151 231.9
[M+Na-2H]- 454.199966 209.1
[M]+ 433.22475142 213.4
[M]- 433.22584858 213.4
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.