CID 12790392

(-)-stb 6

Structural Information

Molecular Formula
C19H21NO3
SMILES
COC1=C(C=C2CN3CCC4=C(C3CC2=C1)C=CC(=C4)O)OC
InChI
InChI=1S/C19H21NO3/c1-22-18-9-13-8-17-16-4-3-15(21)7-12(16)5-6-20(17)11-14(13)10-19(18)23-2/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3
InChIKey
PPJXDHXBPUFGMN-UHFFFAOYSA-N
Compound name
10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.2
[M+Na]+ 334.14135 188.0
[M+NH4]+ 329.18595 182.7
[M+K]+ 350.11529 179.5
[M-H]- 310.14485 176.9
[M+Na-2H]- 332.12680 177.5
[M]+ 311.15158 176.5
[M]- 311.15268 176.5
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

patents stripe