CID 6478157

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

Structural Information

Molecular Formula
C15H8ClF3N2O2S2
SMILES
C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)N)Cl
InChI
InChI=1S/C15H8ClF3N2O2S2/c16-10-3-1-7(15(17,18)19)5-9(10)11-4-2-8(23-11)6-12-13(22)21(20)14(24)25-12/h1-6H,20H2/b12-6+
InChIKey
ZYASZRNZIOTSKT-WUXMJOGZSA-N
Compound name
(5E)-3-amino-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]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

403.9668 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97408 187.6
[M+Na]+ 426.95602 199.9
[M-H]- 402.95952 193.9
[M+NH4]+ 422.00062 201.6
[M+K]+ 442.92996 192.1
[M+H-H2O]+ 386.96406 180.9
[M+HCOO]- 448.96500 191.8
[M+CH3COO]- 462.98065 215.9
[M+Na-2H]- 424.94147 181.6
[M]+ 403.96625 188.1
[M]- 403.96735 188.1
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.