CID 117684

4-thiazolidinone, 3-ethyl-5-(1-ethyl-4(1h)-pyridinylidene)-2-thioxo-

Structural Information

Molecular Formula
C12H14N2OS2
SMILES
CCN1C=CC(=C2C(=O)N(C(=S)S2)CC)C=C1
InChI
InChI=1S/C12H14N2OS2/c1-3-13-7-5-9(6-8-13)10-11(15)14(4-2)12(16)17-10/h5-8H,3-4H2,1-2H3
InChIKey
URVNGLXEYBEJIN-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-ethylpyridin-4-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

266.05475 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06203 158.2
[M+Na]+ 289.04397 167.9
[M-H]- 265.04747 162.4
[M+NH4]+ 284.08857 175.4
[M+K]+ 305.01791 161.8
[M+H-H2O]+ 249.05201 152.0
[M+HCOO]- 311.05295 167.4
[M+CH3COO]- 325.06860 194.1
[M+Na-2H]- 287.02942 153.8
[M]+ 266.05420 158.5
[M]- 266.05530 158.5
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

patents stripe