CID 174435

2-anthracenesulfonic acid, 1-amino-4-(((aminosulfonyl)-4-methylphenyl)amino)-9,10-dihydro-9,10-dioxo-

Structural Information

Molecular Formula
C21H17N3O7S2
SMILES
CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)N
InChI
InChI=1S/C21H17N3O7S2/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31)
InChIKey
FWNQBBFFKDUDGN-UHFFFAOYSA-N
Compound name
1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.05078 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.05806 206.1
[M+Na]+ 510.04000 213.3
[M-H]- 486.04350 210.8
[M+NH4]+ 505.08460 213.2
[M+K]+ 526.01394 207.5
[M+H-H2O]+ 470.04804 198.5
[M+HCOO]- 532.04898 214.0
[M+CH3COO]- 546.06463 241.9
[M+Na-2H]- 508.02545 213.1
[M]+ 487.05023 208.9
[M]- 487.05133 208.9
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.