CID 2115214

2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula

C₁₅H₁₇NO₂S

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C\2/NC(=O)CS2

InChI

InChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18)/b14-8-

InChIKey

UHLNJOPKVUCCER-ZSOIEALJSA-N

Compound name

(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 275.098 Da
Monoisotopic Mass: 3.2
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]+	276.105276	165.6
[M+Na]+	298.087218	172.4
[M-H]-	274.090724	169.6
[M+NH4]+	293.131823	182.2
[M+K]+	314.061158	167.5
[M+H-H2O]+	258.095260	159.5
[M+HCOO]-	320.096201	178.2
[M+CH3COO]-	334.111851	193.1
[M+Na-2H]-	296.072666	163.7
[M]+	275.09745142	164.4
[M]-	275.09854858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.