CID 21056319

130328-27-7

Structural Information

Molecular Formula
C15H10Cl2N4O4S
SMILES
C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)N)S(=O)(=O)O)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C15H10Cl2N4O4S/c16-13-14(17)21-11-5-7(1-4-10(11)20-13)15(22)19-8-2-3-9(18)12(6-8)26(23,24)25/h1-6H,18H2,(H,19,22)(H,23,24,25)
InChIKey
DAUHXGZRACPONL-UHFFFAOYSA-N
Compound name
2-amino-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

411.97998 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.98726 184.7
[M+Na]+ 434.96920 195.3
[M-H]- 410.97270 188.7
[M+NH4]+ 430.01380 194.3
[M+K]+ 450.94314 188.4
[M+H-H2O]+ 394.97724 178.5
[M+HCOO]- 456.97818 190.0
[M+CH3COO]- 470.99383 220.0
[M+Na-2H]- 432.95465 189.0
[M]+ 411.97943 189.9
[M]- 411.98053 189.9
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

patents stripe