CID 403345

Nsc718137

Structural Information

Molecular Formula
C15H10Cl2N2O5S2
SMILES
C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H10Cl2N2O5S2/c16-8-1-2-13(9(17)5-8)26(23,24)19-15-18-10(6-25-15)7-3-11(20)14(22)12(21)4-7/h1-6,20-22H,(H,18,19)
InChIKey
BGTOVQYRMXIYEM-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-[4-(3,4,5-trihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.94083 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.94811 188.0
[M+Na]+ 454.93005 198.7
[M-H]- 430.93355 194.0
[M+NH4]+ 449.97465 198.6
[M+K]+ 470.90399 190.5
[M+H-H2O]+ 414.93809 184.0
[M+HCOO]- 476.93903 189.6
[M+CH3COO]- 490.95468 214.3
[M+Na-2H]- 452.91550 188.1
[M]+ 431.94028 194.1
[M]- 431.94138 194.1
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.