CID 5718021

(5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula

C₁₄H₁₅NO₂S₂

SMILES

CCCCN1C(=O)/C(=C\C2=CC=C(C=C2)O)/SC1=S

InChI

InChI=1S/C14H15NO2S2/c1-2-3-8-15-13(17)12(19-14(15)18)9-10-4-6-11(16)7-5-10/h4-7,9,16H,2-3,8H2,1H3/b12-9+

InChIKey

WYSQOCWIYDTTJF-FMIVXFBMSA-N

Compound name

(5E)-3-butyl-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: 293.0544 Da
Monoisotopic Mass: 3.9
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]+	294.061676	165.0
[M+Na]+	316.043618	174.0
[M-H]-	292.047124	169.2
[M+NH4]+	311.088223	181.7
[M+K]+	332.017558	166.9
[M+H-H2O]+	276.051660	159.2
[M+HCOO]-	338.052601	175.0
[M+CH3COO]-	352.068251	196.5
[M+Na-2H]-	314.029066	160.8
[M]+	293.05385142	166.4
[M]-	293.05494858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.