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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.96810 193.2
[M+Na]+ 417.95004 205.8
[M-H]- 393.95354 203.3
[M+NH4]+ 412.99464 208.6
[M+K]+ 433.92398 197.6
[M+H-H2O]+ 377.95808 189.3
[M+HCOO]- 439.95902 196.1
[M+CH3COO]- 453.97467 204.1
[M+Na-2H]- 415.93549 185.4
[M]+ 394.96027 199.3
[M]- 394.96137 199.3
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.