CID 3009172

4-chloro-n-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide

Structural Information

Molecular Formula
C15H11ClN2O5S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O)Cl
InChI
InChI=1S/C15H11ClN2O5S2/c16-9-1-3-10(4-2-9)25(22,23)18-15-17-11(7-24-15)8-5-12(19)14(21)13(20)6-8/h1-7,19-21H,(H,17,18)
InChIKey
CBHHQHJIQXYQEB-UHFFFAOYSA-N
Compound name
4-chloro-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

397.9798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98708 183.7
[M+Na]+ 420.96902 193.7
[M-H]- 396.97252 189.7
[M+NH4]+ 416.01362 194.8
[M+K]+ 436.94296 185.8
[M+H-H2O]+ 380.97706 178.5
[M+HCOO]- 442.97800 190.2
[M+CH3COO]- 456.99365 208.9
[M+Na-2H]- 418.95447 184.9
[M]+ 397.97925 188.3
[M]- 397.98035 188.3
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.