CID 3024632

96733-49-2

Structural Information

Molecular Formula
C13H9Cl2N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC=CN=C3
InChI
InChI=1S/C13H9Cl2N3OS/c14-8-2-1-3-9(15)12(8)13-18(11(19)7-20-13)10-6-16-4-5-17-10/h1-6,13H,7H2
InChIKey
OPXSQXFTLFNYDM-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-pyrazin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.98434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.991616 168.9
[M+Na]+ 347.973558 180.4
[M-H]- 323.977064 174.8
[M+NH4]+ 343.018163 182.8
[M+K]+ 363.947498 173.3
[M+H-H2O]+ 307.981600 160.6
[M+HCOO]- 369.982541 174.5
[M+CH3COO]- 383.998191 179.9
[M+Na-2H]- 345.959006 167.6
[M]+ 324.98379142 171.9
[M]- 324.98488858 171.9
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.