CID 6478083

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

Structural Information

Molecular Formula
C17H11F3N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)C(F)(F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2O3S3/c18-17(19,20)12-8-6-11(7-9-12)10-14-15(23)22(16(26)27-14)21-28(24,25)13-4-2-1-3-5-13/h1-10,21H/b14-10+
InChIKey
MIHDJHPLAWUXKT-GXDHUFHOSA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.9884 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.99568 197.9
[M+Na]+ 466.97762 206.8
[M-H]- 442.98112 201.0
[M+NH4]+ 462.02222 207.6
[M+K]+ 482.95156 196.6
[M+H-H2O]+ 426.98566 188.8
[M+HCOO]- 488.98660 199.8
[M+CH3COO]- 503.00225 221.8
[M+Na-2H]- 464.96307 196.9
[M]+ 443.98785 194.4
[M]- 443.98895 194.4
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.