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]+ 395.96810 186.7
[M+Na]+ 417.95004 198.6
[M-H]- 393.95354 195.7
[M+NH4]+ 412.99464 201.4
[M+K]+ 433.92398 189.5
[M+H-H2O]+ 377.95808 181.5
[M+HCOO]- 439.95902 189.3
[M+CH3COO]- 453.97467 197.3
[M+Na-2H]- 415.93549 181.5
[M]+ 394.96027 192.2
[M]- 394.96137 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.