CID 105614

67786-20-3

Structural Information

Molecular Formula
C17H16Cl2N4O5S2
SMILES
CCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N=NC2=C(NC3=C2C=CC=C3S(=O)(=O)O)C)Cl
InChI
InChI=1S/C17H16Cl2N4O5S2/c1-3-20-29(24,25)15-8-11(18)13(7-12(15)19)22-23-16-9(2)21-17-10(16)5-4-6-14(17)30(26,27)28/h4-8,20-21H,3H2,1-2H3,(H,26,27,28)
InChIKey
ILZPVKZEPZNRTM-UHFFFAOYSA-N
Compound name
3-[[2,5-dichloro-4-(ethylsulfamoyl)phenyl]diazenyl]-2-methyl-1H-indole-7-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.99393 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.00121 213.8
[M+Na]+ 512.98315 224.4
[M+NH4]+ 508.02775 218.3
[M+K]+ 528.95709 216.9
[M-H]- 488.98665 215.5
[M+Na-2H]- 510.96860 218.0
[M]+ 489.99338 217.0
[M]- 489.99448 217.0
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

No patent data available for this compound.