CID 68060

Melicopidine

Structural Information

Molecular Formula
C17H15NO5
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC
InChI
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3
InChIKey
TZZNUDMEMFBPQI-UHFFFAOYSA-N
Compound name
4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

313.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 168.1
[M+Na]+ 336.08425 181.3
[M-H]- 312.08775 176.2
[M+NH4]+ 331.12885 184.5
[M+K]+ 352.05819 179.9
[M+H-H2O]+ 296.09229 161.0
[M+HCOO]- 358.09323 187.7
[M+CH3COO]- 372.10888 181.8
[M+Na-2H]- 334.06970 175.2
[M]+ 313.09448 178.2
[M]- 313.09558 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