CID 1551239

73873-85-5

Structural Information

Molecular Formula
C12H11NO2S2
SMILES
C/C(=C/1\C(=O)NC(=S)S1)/C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H11NO2S2/c1-7(10-11(14)13-12(16)17-10)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H,13,14,16)/b10-7-
InChIKey
OMWPBMOIAWYRIM-YFHOEESVSA-N
Compound name
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03041 158.8
[M+Na]+ 288.01235 169.0
[M+NH4]+ 283.05695 166.5
[M+K]+ 303.98629 161.2
[M-H]- 264.01585 160.7
[M+Na-2H]- 285.99780 162.1
[M]+ 265.02258 161.5
[M]- 265.02368 161.5
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.