CID 1380742

36772-64-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS₂

SMILES

CCN1C(=O)C(=C2C=CC=CN2C)SC1=S

InChI

InChI=1S/C11H12N2OS2/c1-3-13-10(14)9(16-11(13)15)8-6-4-5-7-12(8)2/h4-7H,3H2,1-2H3

InChIKey

HLIACYSTIJITSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 252.03911 Da
Monoisotopic Mass: 2.6
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]+	253.046386	154.1
[M+Na]+	275.028328	164.3
[M-H]-	251.031834	158.5
[M+NH4]+	270.072933	171.9
[M+K]+	291.002268	158.4
[M+H-H2O]+	235.036370	148.1
[M+HCOO]-	297.037311	163.7
[M+CH3COO]-	311.052961	191.2
[M+Na-2H]-	273.013776	150.1
[M]+	252.03856142	154.0
[M]-	252.03965858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe