CID 5359131

Nsc297814

Structural Information

Molecular Formula
C26H18Cl2N2O8
SMILES
CCOC(=O)C1=CC(=CC2=C1NC3=C(C2=O)C(=C4C(=C3O)C(=O)C5=C(N4)C(=CC(=C5)Cl)C(=O)OCC)O)Cl
InChI
InChI=1S/C26H18Cl2N2O8/c1-3-37-25(35)13-7-9(27)5-11-17(13)29-19-15(21(11)31)24(34)20-16(23(19)33)22(32)12-6-10(28)8-14(18(12)30-20)26(36)38-4-2/h5-8,33-34H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
UFDQCGUOFNGVJI-UHFFFAOYSA-N
Compound name
diethyl 2,9-dichloro-6,13-dihydroxy-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-4,11-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.044 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.05128 217.8
[M+Na]+ 579.03322 230.8
[M-H]- 555.03672 219.2
[M+NH4]+ 574.07782 223.3
[M+K]+ 595.00716 225.4
[M+H-H2O]+ 539.04126 210.0
[M+HCOO]- 601.04220 219.6
[M+CH3COO]- 615.05785 224.8
[M+Na-2H]- 577.01867 220.3
[M]+ 556.04345 230.5
[M]- 556.04455 230.5
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.