CID 12790392

Dtxsid90917355

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 172.1
[M+Na]+ 334.14135 179.7
[M-H]- 310.14485 175.2
[M+NH4]+ 329.18595 188.0
[M+K]+ 350.11529 174.8
[M+H-H2O]+ 294.14939 163.3
[M+HCOO]- 356.15033 185.6
[M+CH3COO]- 370.16598 182.0
[M+Na-2H]- 332.12680 177.2
[M]+ 311.15158 172.0
[M]- 311.15268 172.0
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