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 186.7
[M+Na]+ 415.03592 200.2
[M-H]- 391.03942 189.0
[M+NH4]+ 410.08052 197.9
[M+K]+ 431.00986 192.0
[M+H-H2O]+ 375.04396 178.7
[M+HCOO]- 437.04490 196.7
[M+CH3COO]- 451.06055 196.3
[M+Na-2H]- 413.02137 197.7
[M]+ 392.04615 192.3
[M]- 392.04725 192.3
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