CID 440229

(-)-isocorypalmine

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
InChI
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKey
KDFKJOFJHSVROC-INIZCTEOSA-N
Compound name
(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

232
Patents

341.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.9
[M+Na]+ 364.15194 195.3
[M+NH4]+ 359.19654 189.6
[M+K]+ 380.12588 187.4
[M-H]- 340.15544 184.1
[M+Na-2H]- 362.13739 184.3
[M]+ 341.16217 184.0
[M]- 341.16327 184.0
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