CID 2623224

329777-89-1

Structural Information

Molecular Formula
C14H13NO3S2
SMILES
CCN1C(=O)/C(=C\C2=CC3=C(C=C2)OCCO3)/SC1=S
InChI
InChI=1S/C14H13NO3S2/c1-2-15-13(16)12(20-14(15)19)8-9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,2,5-6H2,1H3/b12-8+
InChIKey
YVXHGHFOOUPUBQ-XYOKQWHBSA-N
Compound name
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0337 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04098 167.1
[M+Na]+ 330.02292 178.8
[M+NH4]+ 325.06752 175.4
[M+K]+ 345.99686 170.6
[M-H]- 306.02642 172.6
[M+Na-2H]- 328.00837 169.3
[M]+ 307.03315 171.2
[M]- 307.03425 171.2
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.