CID 13742711

75431-69-5

Structural Information

Molecular Formula
C20H12N2O5S
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)O
InChI
InChI=1S/C20H12N2O5S/c23-19-11-3-1-2-4-15(11)21-17-9-14-18(8-13(17)19)22-16-6-5-10(28(25,26)27)7-12(16)20(14)24/h1-9H,(H,21,23)(H,22,24)(H,25,26,27)
InChIKey
YUULUYHACSYQOH-UHFFFAOYSA-N
Compound name
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

392.0467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.05398 187.4
[M+Na]+ 415.03592 205.5
[M+NH4]+ 410.08052 194.3
[M+K]+ 431.00986 196.0
[M-H]- 391.03942 189.3
[M+Na-2H]- 413.02137 193.6
[M]+ 392.04615 191.2
[M]- 392.04725 191.2
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

patents stripe