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 157.4
[M+Na]+ 288.01235 166.1
[M-H]- 264.01585 161.6
[M+NH4]+ 283.05695 174.8
[M+K]+ 303.98629 160.0
[M+H-H2O]+ 248.02039 151.8
[M+HCOO]- 310.02133 166.9
[M+CH3COO]- 324.03698 190.3
[M+Na-2H]- 285.99780 153.7
[M]+ 265.02258 157.2
[M]- 265.02368 157.2
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.