CID 5274590

4-[[(1r)-7-[5-[[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenol

Structural Information

Molecular Formula
C38H44N2O6
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC
InChI
InChI=1S/C38H44N2O6/c1-39-15-14-27-21-35(44-5)38(23-30(27)31(39)17-24-7-10-28(41)11-8-24)46-37-19-25(9-12-33(37)42-3)18-32-29-22-36(45-6)34(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey
YBKFOLMFTJTDJS-ROJLCIKYSA-N
Compound name
4-[[(1R)-7-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

624.31995 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.32723 263.0
[M+Na]+ 647.30917 266.3
[M-H]- 623.31267 271.5
[M+NH4]+ 642.35377 261.9
[M+K]+ 663.28311 261.0
[M+H-H2O]+ 607.31721 246.1
[M+HCOO]- 669.31815 269.9
[M+CH3COO]- 683.33380 265.4
[M+Na-2H]- 645.29462 256.7
[M]+ 624.31940 266.5
[M]- 624.32050 266.5
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.