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

0
References

0
Patents

275.098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 165.6
[M+Na]+ 298.08722 172.4
[M-H]- 274.09072 169.6
[M+NH4]+ 293.13182 182.2
[M+K]+ 314.06116 167.5
[M+H-H2O]+ 258.09526 159.5
[M+HCOO]- 320.09620 178.2
[M+CH3COO]- 334.11185 193.1
[M+Na-2H]- 296.07267 163.7
[M]+ 275.09745 164.4
[M]- 275.09855 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.