CID 6478140

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

Structural Information

Molecular Formula
C17H11F3N2O3S3
SMILES
C1=CC=C(C=C1)CS(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3F)F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2O3S3/c18-12-8-14(20)13(19)6-11(12)7-15-16(23)22(17(26)27-15)21-28(24,25)9-10-4-2-1-3-5-10/h1-8,21H,9H2/b15-7+
InChIKey
IELOZQNBQHWWBR-VIZOYTHASA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-3-yl]-1-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.9884 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.99568 195.2
[M+Na]+ 466.97762 205.2
[M-H]- 442.98112 198.8
[M+NH4]+ 462.02222 205.3
[M+K]+ 482.95156 194.4
[M+H-H2O]+ 426.98566 186.1
[M+HCOO]- 488.98660 198.3
[M+CH3COO]- 503.00225 224.4
[M+Na-2H]- 464.96307 191.9
[M]+ 443.98785 193.2
[M]- 443.98895 193.2
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.