CID 493569

7,8-dihydro-8-hydroxypalmatine

Structural Information

Molecular Formula
C21H23NO5
SMILES
COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2O)OC)OC)OC
InChI
InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,9-11,21,23H,7-8H2,1-4H3
InChIKey
XQCLUPWMBVLJKO-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.3
[M+Na]+ 392.14684 196.1
[M-H]- 368.15034 191.0
[M+NH4]+ 387.19144 201.0
[M+K]+ 408.12078 192.4
[M+H-H2O]+ 352.15488 177.9
[M+HCOO]- 414.15582 201.5
[M+CH3COO]- 428.17147 220.4
[M+Na-2H]- 390.13229 191.1
[M]+ 369.15707 192.9
[M]- 369.15817 192.9
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.