CID 1286261

(5e)-2-mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C10H6N2O3S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)/b8-5+
InChIKey
FRWNAQDBODEVAL-VMPITWQZSA-N
Compound name
(5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1605
Patents

265.982 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98928 155.3
[M+Na]+ 288.97122 162.9
[M-H]- 264.97472 159.5
[M+NH4]+ 284.01582 171.2
[M+K]+ 304.94516 152.2
[M+H-H2O]+ 248.97926 153.6
[M+HCOO]- 310.98020 167.0
[M+CH3COO]- 324.99585 182.5
[M+Na-2H]- 286.95667 155.6
[M]+ 265.98145 151.0
[M]- 265.98255 151.0
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

patents stripe