CID 92441920

(5e)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C12H11NO2S2
SMILES
CC1=CC(=CC(=C1O)C)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C12H11NO2S2/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16)/b9-5+
InChIKey
NPYSSQZXRXNSQT-WEVVVXLNSA-N
Compound name
(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02313 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03041 160.3
[M+Na]+ 288.01235 171.0
[M+NH4]+ 283.05695 167.8
[M+K]+ 303.98629 163.0
[M-H]- 264.01585 162.0
[M+Na-2H]- 285.99780 162.8
[M]+ 265.02258 163.0
[M]- 265.02368 163.0
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.