CID 6478111

3-{[(3-methoxyphenyl)sulfonyl]amino}-2-thioxo-5-[(2,4,5-trifluorophenyl)methylene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H11F3N2O4S3
SMILES
COC1=CC(=CC=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3F)F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2O4S3/c1-26-10-3-2-4-11(7-10)29(24,25)21-22-16(23)15(28-17(22)27)6-9-5-13(19)14(20)8-12(9)18/h2-8,21H,1H3/b15-6+
InChIKey
UPKGSKDOGZUMBB-GIDUJCDVSA-N
Compound name
3-methoxy-N-[(5E)-4-oxo-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.9833 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.99058 198.4
[M+Na]+ 482.97252 208.5
[M-H]- 458.97602 202.1
[M+NH4]+ 478.01712 207.8
[M+K]+ 498.94646 198.3
[M+H-H2O]+ 442.98056 189.3
[M+HCOO]- 504.98150 201.5
[M+CH3COO]- 518.99715 227.8
[M+Na-2H]- 480.95797 195.0
[M]+ 459.98275 198.0
[M]- 459.98385 198.0
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.