CID 389569

Nsc685876

Structural Information

Molecular Formula
C20H18N6O4S2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)N)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C20H18N6O4S2/c21-13-5-9-16(10-6-13)32(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-14-7-11-15(12-8-14)31(22,27)28/h1-12H,21H2,(H,23,24)(H,25,26)(H2,22,27,28)
InChIKey
BHEUWDZRNPUSFW-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.0831 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.09038 201.5
[M+Na]+ 493.07232 208.6
[M-H]- 469.07582 207.6
[M+NH4]+ 488.11692 206.0
[M+K]+ 509.04626 200.4
[M+H-H2O]+ 453.08036 192.1
[M+HCOO]- 515.08130 212.7
[M+CH3COO]- 529.09695 238.0
[M+Na-2H]- 491.05777 211.5
[M]+ 470.08255 201.3
[M]- 470.08365 201.3
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

No patent data available for this compound.