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 156.4
[M+Na]+ 288.01235 166.6
[M-H]- 264.01585 159.8
[M+NH4]+ 283.05695 173.6
[M+K]+ 303.98629 158.9
[M+H-H2O]+ 248.02039 151.5
[M+HCOO]- 310.02133 165.3
[M+CH3COO]- 324.03698 189.5
[M+Na-2H]- 285.99780 152.1
[M]+ 265.02258 155.7
[M]- 265.02368 155.7
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.