CID 3009167

N-[4-(2,5-dihydroxy-phenyl)-thiazol-2-yl]-2,4-difluoro-benzenesulfonamide

Structural Information

Molecular Formula
C15H10F2N2O4S2
SMILES
C1=CC(=C(C=C1O)C2=CSC(=N2)NS(=O)(=O)C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C15H10F2N2O4S2/c16-8-1-4-14(11(17)5-8)25(22,23)19-15-18-12(7-24-15)10-6-9(20)2-3-13(10)21/h1-7,20-21H,(H,18,19)
InChIKey
OSESUFJNVSDHDF-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01228 179.8
[M+Na]+ 406.99422 190.3
[M-H]- 382.99772 184.1
[M+NH4]+ 402.03882 191.2
[M+K]+ 422.96816 182.4
[M+H-H2O]+ 367.00226 171.5
[M+HCOO]- 429.00320 189.8
[M+CH3COO]- 443.01885 210.4
[M+Na-2H]- 404.97967 180.0
[M]+ 384.00445 180.8
[M]- 384.00555 180.8
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.