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]+ 312.159406 172.1
[M+Na]+ 334.141348 179.7
[M-H]- 310.144854 175.2
[M+NH4]+ 329.185953 188.0
[M+K]+ 350.115288 174.8
[M+H-H2O]+ 294.149390 163.3
[M+HCOO]- 356.150331 185.6
[M+CH3COO]- 370.165981 182.0
[M+Na-2H]- 332.126796 177.2
[M]+ 311.15158142 172.0
[M]- 311.15267858 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