CID 169405

Einecs 250-925-0

Structural Information

Molecular Formula
C12H14N2O2S2
SMILES
CCN1C(=O)C(=C2C=CN(C=C2)CCO)SC1=S
InChI
InChI=1S/C12H14N2O2S2/c1-2-14-11(16)10(18-12(14)17)9-3-5-13(6-4-9)7-8-15/h3-6,15H,2,7-8H2,1H3
InChIKey
FCLYDLWAESRMLT-UHFFFAOYSA-N
Compound name
3-ethyl-5-[1-(2-hydroxyethyl)pyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.04968 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05696 161.9
[M+Na]+ 305.03890 170.9
[M-H]- 281.04240 164.6
[M+NH4]+ 300.08350 177.6
[M+K]+ 321.01284 164.3
[M+H-H2O]+ 265.04694 155.9
[M+HCOO]- 327.04788 169.9
[M+CH3COO]- 341.06353 193.8
[M+Na-2H]- 303.02435 157.5
[M]+ 282.04913 161.8
[M]- 282.05023 161.8
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.