CID 1551244

108651-20-3

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCN

InChI

InChI=1S/C12H12N2O2S/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2/b10-8-

InChIKey

IVEJXGNFULDNLM-NTMALXAHSA-N

Compound name

(5Z)-3-(2-aminoethyl)-5-benzylidene-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 248.06195 Da
Monoisotopic Mass: 1.4
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]+	249.069226	155.0
[M+Na]+	271.051168	163.5
[M-H]-	247.054674	160.3
[M+NH4]+	266.095773	173.0
[M+K]+	287.025108	158.4
[M+H-H2O]+	231.059210	148.1
[M+HCOO]-	293.060151	173.0
[M+CH3COO]-	307.075801	191.6
[M+Na-2H]-	269.036616	154.1
[M]+	248.06140142	154.4
[M]-	248.06249858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe