CID 76645

3178-78-7

Structural Information

Molecular Formula
C20H15N3O6S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)N
InChI
InChI=1S/C20H15N3O6S/c21-11-4-6-13(24)17-15(11)19(26)18-14(25)7-5-12(16(18)20(17)27)23-9-2-1-3-10(8-9)30(22,28)29/h1-8,23-25H,21H2,(H2,22,28,29)
InChIKey
DMYARGFVXSUNTD-UHFFFAOYSA-N
Compound name
3-[(5-amino-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.06815 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.07543 193.5
[M+Na]+ 448.05737 204.5
[M+NH4]+ 443.10197 198.4
[M+K]+ 464.03131 198.6
[M-H]- 424.06087 196.9
[M+Na-2H]- 446.04282 197.8
[M]+ 425.06760 196.2
[M]- 425.06870 196.2
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.