CID 6478096

5-{[4-chloro-3-(trifluoromethoxy)phenyl]methylene}-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H10ClF3N2O4S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)OC(F)(F)F)/SC2=S
InChI
InChI=1S/C17H10ClF3N2O4S3/c18-12-7-6-10(8-13(12)27-17(19,20)21)9-14-15(24)23(16(28)29-14)22-30(25,26)11-4-2-1-3-5-11/h1-9,22H/b14-9+
InChIKey
SXZMXOKVUMPUJI-NTEUORMPSA-N
Compound name
N-[(5E)-5-[[4-chloro-3-(trifluoromethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.94434 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.95162 206.0
[M+Na]+ 516.93356 215.3
[M-H]- 492.93706 209.7
[M+NH4]+ 511.97816 214.7
[M+K]+ 532.90750 205.0
[M+H-H2O]+ 476.94160 197.9
[M+HCOO]- 538.94254 203.8
[M+CH3COO]- 552.95819 228.3
[M+Na-2H]- 514.91901 204.9
[M]+ 493.94379 206.2
[M]- 493.94489 206.2
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.