CID 6366165

5-((4-hydroxyphenyl)methylene)-3-((phenylamino)methyl)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H14N2O2S2
SMILES
C1=CC=C(C=C1)NCN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C17H14N2O2S2/c20-14-8-6-12(7-9-14)10-15-16(21)19(17(22)23-15)11-18-13-4-2-1-3-5-13/h1-10,18,20H,11H2/b15-10+
InChIKey
XOMOVMLCAXHNPZ-XNTDXEJSSA-N
Compound name
(5E)-3-(anilinomethyl)-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

342.04968 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05696 176.8
[M+Na]+ 365.03890 185.3
[M-H]- 341.04240 183.9
[M+NH4]+ 360.08350 190.7
[M+K]+ 381.01284 176.7
[M+H-H2O]+ 325.04694 169.7
[M+HCOO]- 387.04788 188.5
[M+CH3COO]- 401.06353 186.8
[M+Na-2H]- 363.02435 174.7
[M]+ 342.04913 176.2
[M]- 342.05023 176.2
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.