CID 132565

143526-87-8

Structural Information

Molecular Formula
C20H23NO5
SMILES
COC1=CC(=CC(=C1)C2=N[C@@H](CC3=CC(=C(C=C32)OC)OC)CO)OC
InChI
InChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m0/s1
InChIKey
GHBUMWHHZFGRDI-AWEZNQCLSA-N
Compound name
[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

416
Patents

357.15762 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16490 185.2
[M+Na]+ 380.14684 200.1
[M+NH4]+ 375.19144 192.0
[M+K]+ 396.12078 192.8
[M-H]- 356.15034 188.7
[M+Na-2H]- 378.13229 191.2
[M]+ 357.15707 188.4
[M]- 357.15817 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe