CID 89415

21025-18-3

Structural Information

Molecular Formula
C12H16N2OS3
SMILES
CCN1C(=O)C(=C(C)C=C2N(CCS2)C)SC1=S
InChI
InChI=1S/C12H16N2OS3/c1-4-14-11(15)10(18-12(14)16)8(2)7-9-13(3)5-6-17-9/h7H,4-6H2,1-3H3
InChIKey
LOQHVCVQRNEXDJ-UHFFFAOYSA-N
Compound name
3-ethyl-5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04248 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04976 171.4
[M+Na]+ 323.03170 178.3
[M+NH4]+ 318.07630 178.5
[M+K]+ 339.00564 170.7
[M-H]- 299.03520 172.3
[M+Na-2H]- 321.01715 170.3
[M]+ 300.04193 173.6
[M]- 300.04303 173.6
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.