CID 3038239

5-(alpha-methyl-3-hydroxybenzylidene)rhodanine

Structural Information

Molecular Formula
C11H9NO2S2
SMILES
C/C(=C/1\C(=O)NC(=S)S1)/C2=CC(=CC=C2)O
InChI
InChI=1S/C11H9NO2S2/c1-6(7-3-2-4-8(13)5-7)9-10(14)12-11(15)16-9/h2-5,13H,1H3,(H,12,14,15)/b9-6-
InChIKey
ZCPCMWDOKOEAKZ-TWGQIWQCSA-N
Compound name
(5Z)-5-[1-(3-hydroxyphenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

251.00748 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01476 153.3
[M+Na]+ 273.99670 162.0
[M-H]- 250.00020 156.3
[M+NH4]+ 269.04130 170.5
[M+K]+ 289.97064 155.2
[M+H-H2O]+ 234.00474 148.2
[M+HCOO]- 296.00568 161.7
[M+CH3COO]- 310.02133 185.0
[M+Na-2H]- 271.98215 149.7
[M]+ 251.00693 151.0
[M]- 251.00803 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

No patent data available for this compound.