CID 46854648

Methyl 10-methyl-4,11-dioxo-furo[2,3-b]acridine-2-carboxylate

Structural Information

Molecular Formula
C18H11NO5
SMILES
CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=C(C2=O)OC(=C4)C(=O)OC
InChI
InChI=1S/C18H11NO5/c1-8-9-5-3-4-6-11(9)19-14-13(8)16(21)17-10(15(14)20)7-12(24-17)18(22)23-2/h3-7H,1-2H3
InChIKey
LBWDDZHCYRBQGB-UHFFFAOYSA-N
Compound name
methyl 10-methyl-4,11-dioxofuro[2,3-b]acridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07100 169.5
[M+Na]+ 344.05294 182.2
[M-H]- 320.05644 176.8
[M+NH4]+ 339.09754 186.5
[M+K]+ 360.02688 179.1
[M+H-H2O]+ 304.06098 162.4
[M+HCOO]- 366.06192 189.0
[M+CH3COO]- 380.07757 182.7
[M+Na-2H]- 342.03839 174.6
[M]+ 321.06317 177.2
[M]- 321.06427 177.2
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.