CID 5751025

Schembl15421391

Structural Information

Molecular Formula
C10H7NO3S2
SMILES
C1=CC(=C(C=C1O)O)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C10H7NO3S2/c12-6-2-1-5(7(13)4-6)3-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15)/b8-3-
InChIKey
GZGFGVYXIOPNPH-BAQGIRSFSA-N
Compound name
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

252.98674 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99402 152.2
[M+Na]+ 275.97596 161.8
[M-H]- 251.97946 154.1
[M+NH4]+ 271.02056 168.8
[M+K]+ 291.94990 154.2
[M+H-H2O]+ 235.98400 147.5
[M+HCOO]- 297.98494 160.6
[M+CH3COO]- 312.00059 182.3
[M+Na-2H]- 273.96141 149.3
[M]+ 252.98619 150.1
[M]- 252.98729 150.1
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