CID 1551237

81154-02-1

Structural Information

Molecular Formula
C11H9NO2S2
SMILES
COC1=CC=CC(=C1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+
InChIKey
ZXBRDIMYFRPBGK-RMKNXTFCSA-N
Compound name
(5E)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

251.00748 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01476 153.1
[M+Na]+ 273.99670 162.8
[M-H]- 250.00020 157.5
[M+NH4]+ 269.04130 171.2
[M+K]+ 289.97064 156.3
[M+H-H2O]+ 234.00474 147.6
[M+HCOO]- 296.00568 164.1
[M+CH3COO]- 310.02133 186.5
[M+Na-2H]- 271.98215 150.8
[M]+ 251.00693 153.2
[M]- 251.00803 153.2
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

patents stripe