CID 11621414

4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-2-[[1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl]oxy]phenol

Structural Information

Molecular Formula
C37H42N2O6
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC
InChI
InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3
InChIKey
XCUCMLUTCAKSOZ-UHFFFAOYSA-N
Compound name
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

69
References

482
Patents

610.30426 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.31154 258.0
[M+Na]+ 633.29348 261.4
[M-H]- 609.29698 265.6
[M+NH4]+ 628.33808 257.0
[M+K]+ 649.26742 255.8
[M+H-H2O]+ 593.30152 241.9
[M+HCOO]- 655.30246 264.0
[M+CH3COO]- 669.31811 260.4
[M+Na-2H]- 631.27893 252.1
[M]+ 610.30371 259.9
[M]- 610.30481 259.9
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.