CID 1379482

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

Structural Information

Molecular Formula
C10H7ClN2OS2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)N)Cl
InChI
InChI=1S/C10H7ClN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5+
InChIKey
QTNCEBZYJGVYDL-VMPITWQZSA-N
Compound name
(5E)-3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.96884 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97612 156.6
[M+Na]+ 292.95806 167.5
[M-H]- 268.96156 162.2
[M+NH4]+ 288.00266 175.1
[M+K]+ 308.93200 159.6
[M+H-H2O]+ 252.96610 151.7
[M+HCOO]- 314.96704 164.6
[M+CH3COO]- 328.98269 168.5
[M+Na-2H]- 290.94351 153.4
[M]+ 269.96829 157.0
[M]- 269.96939 157.0
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.