CID 85190560

Litcubinine

Structural Information

Molecular Formula
C18H20NO4
SMILES
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)O)O)OC
InChI
InChI=1S/C18H19NO4/c1-19-4-3-10-7-18(23-2)17(22)8-12(10)14(19)5-11-6-15(20)16(21)9-13(11)19/h6-9,14H,3-5H2,1-2H3,(H2-,20,21,22)/p+1
InChIKey
HVZWFRMKXRRMBK-UHFFFAOYSA-O
Compound name
3-methoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2,9,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13922 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14650 169.8
[M+Na]+ 337.12844 184.7
[M+NH4]+ 332.17304 180.7
[M+K]+ 353.10238 178.6
[M-H]- 313.13194 173.1
[M+Na-2H]- 335.11389 174.2
[M]+ 314.13867 173.4
[M]- 314.13977 173.4
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.