CID 2830895

3-(4-methylphenyl)-5-[(4-methylphenyl)amino]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H16N2O2S/c1-11-3-7-13(8-4-11)18-15-16(20)19(17(21)22-15)14-9-5-12(2)6-10-14/h3-10,15,18H,1-2H3

InChIKey

HKSDAVZYGBEOEJ-UHFFFAOYSA-N

Compound name

5-(4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.09326 Da
Monoisotopic Mass: 4.4
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]+	313.100536	171.7
[M+Na]+	335.082478	180.8
[M-H]-	311.085984	181.1
[M+NH4]+	330.127083	187.5
[M+K]+	351.056418	175.1
[M+H-H2O]+	295.090520	163.8
[M+HCOO]-	357.091461	190.0
[M+CH3COO]-	371.107111	183.5
[M+Na-2H]-	333.067926	170.4
[M]+	312.09271142	173.0
[M]-	312.09380858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.