CID 68433

Melicopine

Structural Information

Molecular Formula
C17H15NO5
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
InChI
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3
InChIKey
PEWWLIQAXYMMAN-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

313.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.102306 168.1
[M+Na]+ 336.084248 181.3
[M-H]- 312.087754 176.2
[M+NH4]+ 331.128853 184.5
[M+K]+ 352.058188 179.9
[M+H-H2O]+ 296.092290 161.0
[M+HCOO]- 358.093231 187.7
[M+CH3COO]- 372.108881 181.8
[M+Na-2H]- 334.069696 175.2
[M]+ 313.09448142 178.2
[M]- 313.09557858 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

literature stripe

Patent stripe

patents stripe