CID 199253

3889-20-1

Structural Information

Molecular Formula

C₁₁H₁₁NOS₂

SMILES

C1C(=O)N(C(=S)S1)CCC2=CC=CC=C2

InChI

InChI=1S/C11H11NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

VYNFNTKJZYOOPO-UHFFFAOYSA-N

Compound name

3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 237.02821 Da
Monoisotopic Mass: 2.8
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]+	238.03549	150.8
[M+Na]+	260.01743	162.3
[M+NH4]+	255.06203	160.1
[M+K]+	275.99137	153.0
[M-H]-	236.02093	154.3
[M+Na-2H]-	258.00288	156.0
[M]+	237.02766	154.3
[M]-	237.02876	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe