CID 1270513

(5z)-5-(2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C10H7NO2S2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)S2)O
InChI
InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
InChIKey
ZROKEZLWNZKNSJ-YVMONPNESA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

236.99182 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99910 149.1
[M+Na]+ 259.98104 158.7
[M-H]- 235.98454 152.2
[M+NH4]+ 255.02564 167.0
[M+K]+ 275.95498 151.5
[M+H-H2O]+ 219.98908 144.1
[M+HCOO]- 281.99002 158.9
[M+CH3COO]- 296.00567 160.6
[M+Na-2H]- 257.96649 146.8
[M]+ 236.99127 147.0
[M]- 236.99237 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe