CID 6478134

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

Structural Information

Molecular Formula
C21H12ClF3N2O4S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)C(F)(F)F)Cl)/SC2=S
InChI
InChI=1S/C21H12ClF3N2O4S3/c22-16-8-6-12(21(23,24)25)10-15(16)17-9-7-13(31-17)11-18-19(28)27(20(32)33-18)26-34(29,30)14-4-2-1-3-5-14/h1-11,26H/b18-11+
InChIKey
WAUSETCVJRWNBY-WOJGMQOQSA-N
Compound name
N-[(5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]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

543.95996 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.96724 223.2
[M+Na]+ 566.94918 234.1
[M-H]- 542.95268 231.8
[M+NH4]+ 561.99378 231.2
[M+K]+ 582.92312 225.2
[M+H-H2O]+ 526.95722 216.6
[M+HCOO]- 588.95816 222.3
[M+CH3COO]- 602.97381 237.0
[M+Na-2H]- 564.93463 220.3
[M]+ 543.95941 225.0
[M]- 543.96051 225.0
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.