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)-4-pyridinylidene]-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]+ 283.056956 161.9
[M+Na]+ 305.038898 170.9
[M-H]- 281.042404 164.6
[M+NH4]+ 300.083503 177.6
[M+K]+ 321.012838 164.3
[M+H-H2O]+ 265.046940 155.9
[M+HCOO]- 327.047881 169.9
[M+CH3COO]- 341.063531 193.8
[M+Na-2H]- 303.024346 157.5
[M]+ 282.04913142 161.8
[M]- 282.05022858 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.