CID 170221

4-thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-

Structural Information

Molecular Formula
C12H12N2OS2
SMILES
CCN1C(=C(SC1=S)C=NC2=CC=CC=C2)O
InChI
InChI=1S/C12H12N2OS2/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKey
ZMUTZNCDEDSUFW-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

264.0391 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04638 155.7
[M+Na]+ 287.02832 166.6
[M-H]- 263.03182 162.0
[M+NH4]+ 282.07292 174.1
[M+K]+ 303.00226 160.0
[M+H-H2O]+ 247.03636 149.3
[M+HCOO]- 309.03730 171.1
[M+CH3COO]- 323.05295 194.9
[M+Na-2H]- 285.01377 155.5
[M]+ 264.03855 159.1
[M]- 264.03965 159.1
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