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 172.3
[M+Na]+ 337.12844 181.9
[M-H]- 313.13194 174.4
[M+NH4]+ 332.17304 191.0
[M+K]+ 353.10238 170.4
[M+H-H2O]+ 297.13648 168.8
[M+HCOO]- 359.13742 185.1
[M+CH3COO]- 373.15307 195.5
[M+Na-2H]- 335.11389 178.5
[M]+ 314.13867 171.4
[M]- 314.13977 171.4
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.