CID 85243417

(-)-litcubine

Structural Information

Molecular Formula
C19H22NO4
SMILES
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)O)OC
InChI
InChI=1S/C19H21NO4/c1-20-5-4-11-7-18(23-2)16(21)9-13(11)15(20)6-12-8-19(24-3)17(22)10-14(12)20/h7-10,15H,4-6H2,1-3H3,(H-,21,22)/p+1
InChIKey
CWKRVCVOEADAEH-UHFFFAOYSA-O
Compound name
3,10-dimethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15488 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16216 176.9
[M+Na]+ 351.14410 186.5
[M-H]- 327.14760 180.2
[M+NH4]+ 346.18870 195.7
[M+K]+ 367.11804 175.5
[M+H-H2O]+ 311.15214 172.9
[M+HCOO]- 373.15308 190.8
[M+CH3COO]- 387.16873 200.7
[M+Na-2H]- 349.12955 182.9
[M]+ 328.15433 178.0
[M]- 328.15543 178.0
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

No patent data available for this compound.