CID 6478137

5-[(3,4-dichlorophenyl)methylene]-3-[(butylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C14H14Cl2N2O3S3
SMILES
CCCCS(=O)(=O)NN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C14H14Cl2N2O3S3/c1-2-3-6-24(20,21)17-18-13(19)12(23-14(18)22)8-9-4-5-10(15)11(16)7-9/h4-5,7-8,17H,2-3,6H2,1H3/b12-8+
InChIKey
RSVHLESONZNEEH-XYOKQWHBSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.95438 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.96166 194.1
[M+Na]+ 446.94360 203.0
[M-H]- 422.94710 198.6
[M+NH4]+ 441.98820 206.6
[M+K]+ 462.91754 193.0
[M+H-H2O]+ 406.95164 190.2
[M+HCOO]- 468.95258 190.2
[M+CH3COO]- 482.96823 218.2
[M+Na-2H]- 444.92905 190.2
[M]+ 423.95383 197.7
[M]- 423.95493 197.7
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.