CID 205069

17294-07-4

Structural Information

Molecular Formula

C₁₁H₁₃NOS₂

SMILES

CCN1C(=S)SCC1(C2=CC=CC=C2)O

InChI

InChI=1S/C11H13NOS2/c1-2-12-10(14)15-8-11(12,13)9-6-4-3-5-7-9/h3-7,13H,2,8H2,1H3

InChIKey

IPSNMBZTPNYABA-UHFFFAOYSA-N

Compound name

3-ethyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.04385 Da
Monoisotopic Mass: 2.2
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]+	240.05113	148.9
[M+Na]+	262.03307	158.1
[M-H]-	238.03657	153.1
[M+NH4]+	257.07767	169.4
[M+K]+	278.00701	152.8
[M+H-H2O]+	222.04111	144.0
[M+HCOO]-	284.04205	159.4
[M+CH3COO]-	298.05770	160.9
[M+Na-2H]-	260.01852	148.8
[M]+	239.04330	149.1
[M]-	239.04440	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.