CID 36123

Steponine chloride

Structural Information

Molecular Formula
C20H24NO4
SMILES
C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)OC)O
InChI
InChI=1S/C20H23NO4/c1-21-7-6-13-9-17(22)19(25-3)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1
InChIKey
JPZIEDNXIGBQCY-UHFFFAOYSA-O
Compound name
2,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17053 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17781 179.2
[M+Na]+ 365.15975 195.4
[M+NH4]+ 360.20435 190.4
[M+K]+ 381.13369 186.3
[M-H]- 341.16325 183.8
[M+Na-2H]- 363.14520 184.7
[M]+ 342.16998 183.5
[M]- 342.17108 183.5
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.