CID 1902677

309936-21-8

Structural Information

Molecular Formula

C₁₇H₁₁Cl₂NO₂S₂

SMILES

C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/SC1=S

InChI

InChI=1S/C17H11Cl2NO2S2/c1-2-7-20-16(21)15(24-17(20)23)9-11-4-6-14(22-11)10-3-5-12(18)13(19)8-10/h2-6,8-9H,1,7H2/b15-9+

InChIKey

NSEMICSSQWZYLN-OQLLNIDSSA-N

Compound name

(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-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: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.968096	193.2
[M+Na]+	417.950038	205.8
[M-H]-	393.953544	203.3
[M+NH4]+	412.994643	208.6
[M+K]+	433.923978	197.6
[M+H-H2O]+	377.958080	189.3
[M+HCOO]-	439.959021	196.1
[M+CH3COO]-	453.974671	204.1
[M+Na-2H]-	415.935486	185.4
[M]+	394.96027142	199.3
[M]-	394.96136858	199.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.