CID 6366170

3-(((p-chlorophenyl)amino)methyl)-5-((4-hydroxyphenyl)methylene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H13ClN2O2S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H13ClN2O2S2/c18-12-3-5-13(6-4-12)19-10-20-16(22)15(24-17(20)23)9-11-1-7-14(21)8-2-11/h1-9,19,21H,10H2/b15-9+
InChIKey
QRHJXOXRWWQMFC-OQLLNIDSSA-N
Compound name
(5E)-3-[(4-chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.01798 183.9
[M+Na]+ 398.99992 193.6
[M-H]- 375.00342 191.4
[M+NH4]+ 394.04452 197.5
[M+K]+ 414.97386 183.9
[M+H-H2O]+ 359.00796 177.9
[M+HCOO]- 421.00890 190.9
[M+CH3COO]- 435.02455 193.7
[M+Na-2H]- 396.98537 180.7
[M]+ 376.01015 185.6
[M]- 376.01125 185.6
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.