CID 1268919

5447-37-0

Structural Information

Molecular Formula
C11H9NO3S2
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)O
InChI
InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-5+
InChIKey
OWXPWWRBBBGOLO-WEVVVXLNSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

267.00238 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00966 158.8
[M+Na]+ 289.99160 168.8
[M+NH4]+ 285.03620 165.8
[M+K]+ 305.96554 161.4
[M-H]- 265.99510 160.0
[M+Na-2H]- 287.97705 161.3
[M]+ 267.00183 161.2
[M]- 267.00293 161.2
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