CID 85206

15958-61-9

Structural Information

Molecular Formula
C26H17NO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C26H17NO4S/c28-25-20-9-4-5-10-21(20)26(29)24-22(25)11-6-12-23(24)27-17-13-15-19(16-14-17)32(30,31)18-7-2-1-3-8-18/h1-16,27H
InChIKey
KENBLFRKIMERGS-UHFFFAOYSA-N
Compound name
1-[4-(benzenesulfonyl)anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

439.08783 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09511 200.3
[M+Na]+ 462.07705 217.4
[M+NH4]+ 457.12165 208.7
[M+K]+ 478.05099 205.9
[M-H]- 438.08055 208.1
[M+Na-2H]- 460.06250 211.2
[M]+ 439.08728 205.7
[M]- 439.08838 205.7
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