CID 392605

8-oxopseudopalmatine

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC
InChI
InChI=1S/C21H21NO5/c1-24-17-8-12-5-6-22-16(14(12)10-19(17)26-3)7-13-9-18(25-2)20(27-4)11-15(13)21(22)23/h7-11H,5-6H2,1-4H3
InChIKey
RNYYLJRCLSSAOZ-UHFFFAOYSA-N
Compound name
2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

367.14197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 185.7
[M+Na]+ 390.13119 196.1
[M-H]- 366.13469 191.1
[M+NH4]+ 385.17579 200.2
[M+K]+ 406.10513 192.5
[M+H-H2O]+ 350.13923 175.9
[M+HCOO]- 412.14017 203.0
[M+CH3COO]- 426.15582 221.6
[M+Na-2H]- 388.11664 190.8
[M]+ 367.14142 193.6
[M]- 367.14252 193.6
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