CID 78917

5264-55-1

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C(=C2)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H14N2O4S/c21-14-10-15(27(25,26)11-6-2-1-3-7-11)18(22)17-16(14)19(23)12-8-4-5-9-13(12)20(17)24/h1-10H,21-22H2
InChIKey
ZOYGTKBVXJRWLG-UHFFFAOYSA-N
Compound name
1,4-diamino-2-(benzenesulfonyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

378.0674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.074676 184.9
[M+Na]+ 401.056618 194.6
[M-H]- 377.060124 192.8
[M+NH4]+ 396.101223 198.1
[M+K]+ 417.030558 188.4
[M+H-H2O]+ 361.064660 176.9
[M+HCOO]- 423.065601 200.4
[M+CH3COO]- 437.081251 195.2
[M+Na-2H]- 399.042066 189.7
[M]+ 378.06685142 186.0
[M]- 378.06794858 186.0
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