CID 601259

Dtxsid30964045

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
InChI
InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3
InChIKey
BWUQAWCUJMATJS-UHFFFAOYSA-N
Compound name
3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

187
Patents

327.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 175.5
[M+Na]+ 350.13628 183.3
[M-H]- 326.13978 177.6
[M+NH4]+ 345.18088 190.2
[M+K]+ 366.11022 178.5
[M+H-H2O]+ 310.14432 167.2
[M+HCOO]- 372.14526 187.6
[M+CH3COO]- 386.16091 184.9
[M+Na-2H]- 348.12173 179.7
[M]+ 327.14651 175.6
[M]- 327.14761 175.6
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

No patent data available for this compound.