PubChemLite - Zk-thiazolidinone (C23H30F3N5O2S)

Structural Information

Molecular Formula

SMILES

CCN1C(SC(C1=O)CNC2=CC=CC(=C2)CCN3CCCC3)C(C#N)C(=O)NCC(F)(F)F

InChI

InChI=1S/C23H30F3N5O2S/c1-2-31-21(33)19(34-22(31)18(13-27)20(32)29-15-23(24,25)26)14-28-17-7-5-6-16(12-17)8-11-30-9-3-4-10-30/h5-7,12,18-19,22,28H,2-4,8-11,14-15H2,1H3,(H,29,32)

InChIKey

WFZRONKPJVZNAO-UHFFFAOYSA-N

Compound name

2-cyano-2-[3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methyl]-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

Related CIDs

2D Structure

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]+	498.21452	214.0
[M+Na]+	520.19646	218.0
[M-H]-	496.19996	214.7
[M+NH4]+	515.24106	220.3
[M+K]+	536.17040	212.0
[M+H-H2O]+	480.20450	196.2
[M+HCOO]-	542.20544	218.6
[M+CH3COO]-	556.22109	247.4
[M+Na-2H]-	518.18191	206.0
[M]+	497.20669	204.8
[M]-	497.20779	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.21452

214.0

[M+Na]+

520.19646

218.0

[M-H]-

496.19996

214.7

[M+NH4]+

515.24106

220.3

[M+K]+

536.17040

212.0

[M+H-H2O]+

480.20450

196.2

[M+HCOO]-

542.20544

218.6

[M+CH3COO]-

556.22109

247.4

[M+Na-2H]-

518.18191

206.0

[M]+

497.20669

204.8

[M]-

497.20779

204.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Zk-thiazolidinone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe