CID 1228564

(5e)-3-amino-5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C14H9ClN2O2S2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)N
InChI
InChI=1S/C14H9ClN2O2S2/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(18)17(16)14(20)21-12/h1-7H,16H2/b12-7+
InChIKey
YPDVXNOSIUUQHM-KPKJPENVSA-N
Compound name
(5E)-3-amino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98668 177.3
[M+Na]+ 358.96862 189.3
[M-H]- 334.97212 187.5
[M+NH4]+ 354.01322 193.9
[M+K]+ 374.94256 182.3
[M+H-H2O]+ 318.97666 172.8
[M+HCOO]- 380.97760 186.4
[M+CH3COO]- 394.99325 189.2
[M+Na-2H]- 356.95407 172.3
[M]+ 335.97885 180.4
[M]- 335.97995 180.4
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.