CID 209426

3,9,10-trimethoxyberbine

Structural Information

Molecular Formula
C20H23NO3
SMILES
COC1=CC2=C(C=C1)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC
InChI
InChI=1S/C20H23NO3/c1-22-15-5-6-16-14(10-15)8-9-21-12-17-13(11-18(16)21)4-7-19(23-2)20(17)24-3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKey
UPXYTXFSZSYUNV-UHFFFAOYSA-N
Compound name
3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.5
[M+Na]+ 348.15702 192.6
[M+NH4]+ 343.20162 187.1
[M+K]+ 364.13096 183.6
[M-H]- 324.16052 181.6
[M+Na-2H]- 346.14247 182.1
[M]+ 325.16725 181.0
[M]- 325.16835 181.0
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

No patent data available for this compound.