CID 6478128

(5e)-5-[(3,4-dichlorophenyl)methylene]-3-(methylamino)-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C11H8Cl2N2OS2
SMILES
CNN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C11H8Cl2N2OS2/c1-14-15-10(16)9(18-11(15)17)5-6-2-3-7(12)8(13)4-6/h2-5,14H,1H3/b9-5+
InChIKey
UJTJOCVGPZMOKE-WEVVVXLNSA-N
Compound name
(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(methylamino)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.9455 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.95278 167.3
[M+Na]+ 340.93472 178.4
[M-H]- 316.93822 173.0
[M+NH4]+ 335.97932 184.7
[M+K]+ 356.90866 169.9
[M+H-H2O]+ 300.94276 163.1
[M+HCOO]- 362.94370 170.5
[M+CH3COO]- 376.95935 202.1
[M+Na-2H]- 338.92017 163.3
[M]+ 317.94495 170.0
[M]- 317.94605 170.0
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.