CID 19789219

34330-18-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S₂

SMILES

CN1C=CC(=C2C(=O)N(C(=S)S2)CCO)C=C1

InChI

InChI=1S/C11H12N2O2S2/c1-12-4-2-8(3-5-12)9-10(15)13(6-7-14)11(16)17-9/h2-5,14H,6-7H2,1H3

InChIKey

ALLQCHYQXVPRLR-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-5-(1-methyl-4-pyridinylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 268.03403 Da
Monoisotopic Mass: 1.0
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]+	269.041306	157.9
[M+Na]+	291.023248	167.3
[M-H]-	267.026754	160.8
[M+NH4]+	286.067853	174.1
[M+K]+	306.997188	160.9
[M+H-H2O]+	251.031290	152.0
[M+HCOO]-	313.032231	166.2
[M+CH3COO]-	327.047881	190.8
[M+Na-2H]-	289.008696	153.8
[M]+	268.03348142	157.4
[M]-	268.03457858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe