CID 3009164

4-chloro-n-[4-(2,5-dihydroxyphenyl)thiazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C15H11ClN2O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)O)O)Cl
InChI
InChI=1S/C15H11ClN2O4S2/c16-9-1-4-11(5-2-9)24(21,22)18-15-17-13(8-23-15)12-7-10(19)3-6-14(12)20/h1-8,19-20H,(H,17,18)
InChIKey
QOLJYABPYIZXJG-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.98486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.99214 181.7
[M+Na]+ 404.97408 192.1
[M-H]- 380.97758 188.9
[M+NH4]+ 400.01868 194.2
[M+K]+ 420.94802 184.1
[M+H-H2O]+ 364.98212 176.1
[M+HCOO]- 426.98306 189.5
[M+CH3COO]- 440.99871 192.0
[M+Na-2H]- 402.95953 183.3
[M]+ 381.98431 186.3
[M]- 381.98541 186.3
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.