CID 453215

Tetrahydropalmatrubine

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)O
InChI
InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChIKey
DKBYSDUFSXFXMP-UHFFFAOYSA-N
Compound name
2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
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 180.2
[M+Na]+ 364.15194 187.9
[M-H]- 340.15544 183.3
[M+NH4]+ 359.19654 194.9
[M+K]+ 380.12588 183.6
[M+H-H2O]+ 324.15998 171.2
[M+HCOO]- 386.16092 193.3
[M+CH3COO]- 400.17657 189.7
[M+Na-2H]- 362.13739 184.2
[M]+ 341.16217 182.2
[M]- 341.16327 182.2
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