CID 166069

68959-19-3

Structural Information

Molecular Formula
C17H16Cl2N4O5S2
SMILES
CC1=C(C2=CC=CC=C2N1)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)NCCS(=O)(=O)O)Cl
InChI
InChI=1S/C17H16Cl2N4O5S2/c1-10-17(11-4-2-3-5-14(11)21-10)23-22-15-8-13(19)16(9-12(15)18)30(27,28)20-6-7-29(24,25)26/h2-5,8-9,20-21H,6-7H2,1H3,(H,24,25,26)
InChIKey
FQHJGRINTJWSBL-UHFFFAOYSA-N
Compound name
2-[[2,5-dichloro-4-[(2-methyl-1H-indol-3-yl)diazenyl]phenyl]sulfonylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

489.99393 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.00121 212.3
[M+Na]+ 512.98315 222.7
[M+NH4]+ 508.02775 216.9
[M+K]+ 528.95709 215.0
[M-H]- 488.98665 213.9
[M+Na-2H]- 510.96860 216.8
[M]+ 489.99338 215.4
[M]- 489.99448 215.4
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.