CID 10100278

Isoliensinin

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

265
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 260.1
[M+Na]+ 633.29348 276.5
[M+NH4]+ 628.33808 265.4
[M+K]+ 649.26742 266.5
[M-H]- 609.29698 268.0
[M+Na-2H]- 631.27893 265.1
[M]+ 610.30371 264.9
[M]- 610.30481 264.9
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

patents stripe