CID 1567254

5-(2,4-dichlorobenzylidene)-3-(2-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H11Cl2NO2S2
SMILES
COC1=CC=CC=C1N2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C17H11Cl2NO2S2/c1-22-14-5-3-2-4-13(14)20-16(21)15(24-17(20)23)8-10-6-7-11(18)9-12(10)19/h2-9H,1H3/b15-8-
InChIKey
VIEJYYLCAPBXSU-NVNXTCNLSA-N
Compound name
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.96082 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.968096 186.7
[M+Na]+ 417.950038 198.6
[M-H]- 393.953544 195.7
[M+NH4]+ 412.994643 201.4
[M+K]+ 433.923978 189.5
[M+H-H2O]+ 377.958080 181.5
[M+HCOO]- 439.959021 189.3
[M+CH3COO]- 453.974671 197.3
[M+Na-2H]- 415.935486 181.5
[M]+ 394.96027142 192.2
[M]- 394.96136858 192.2
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.