CID 209145

19334-80-6

Structural Information

Molecular Formula

C₁₄H₁₇NO₂S₂

SMILES

CCCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C14H17NO2S2/c1-3-5-12-13(16)15(14(18)19-12)10-6-8-11(9-7-10)17-4-2/h6-9,12H,3-5H2,1-2H3

InChIKey

JUBVCCTUSMVTKY-UHFFFAOYSA-N

Compound name

3-(4-ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.07007 Da
Monoisotopic Mass: 4.0
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]+	296.077346	165.2
[M+Na]+	318.059288	174.3
[M-H]-	294.062794	170.7
[M+NH4]+	313.103893	182.5
[M+K]+	334.033228	168.7
[M+H-H2O]+	278.067330	159.0
[M+HCOO]-	340.068271	176.4
[M+CH3COO]-	354.083921	200.4
[M+Na-2H]-	316.044736	161.3
[M]+	295.06952142	169.2
[M]-	295.07061858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.