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 174.4
[M+Na]+ 351.14410 189.6
[M+NH4]+ 346.18870 185.5
[M+K]+ 367.11804 183.0
[M-H]- 327.14760 178.2
[M+Na-2H]- 349.12955 179.0
[M]+ 328.15433 178.2
[M]- 328.15543 178.2
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.