CID 103230

65122-01-2

Structural Information

Molecular Formula
C13H18N2O2S2
SMILES
CCN1CCSC1=CC(=C2C(=O)N(C(=S)O2)CC)C
InChI
InChI=1S/C13H18N2O2S2/c1-4-14-6-7-19-10(14)8-9(3)11-12(16)15(5-2)13(18)17-11/h8H,4-7H2,1-3H3
InChIKey
JLFKHEYAEIXOJF-UHFFFAOYSA-N
Compound name
3-ethyl-5-[1-(3-ethyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08824 173.6
[M+Na]+ 321.07018 181.0
[M+NH4]+ 316.11478 179.8
[M+K]+ 337.04412 175.7
[M-H]- 297.07368 175.0
[M+Na-2H]- 319.05563 172.2
[M]+ 298.08041 175.5
[M]- 298.08151 175.5
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

No patent data available for this compound.