CID 3024631

4-thiazolidinone, 2-(2-chlorophenyl)-3-pyrazinyl-

Structural Information

Molecular Formula
C13H10ClN3OS
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NC=CN=C3
InChI
InChI=1S/C13H10ClN3OS/c14-10-4-2-1-3-9(10)13-17(12(18)8-19-13)11-7-15-5-6-16-11/h1-7,13H,8H2
InChIKey
HFUXJFKGOUQNNJ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-3-pyrazin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.02332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03060 162.8
[M+Na]+ 314.01254 173.5
[M-H]- 290.01604 169.2
[M+NH4]+ 309.05714 177.5
[M+K]+ 329.98648 167.1
[M+H-H2O]+ 274.02058 154.1
[M+HCOO]- 336.02152 173.7
[M+CH3COO]- 350.03717 174.4
[M+Na-2H]- 311.99799 163.0
[M]+ 291.02277 164.6
[M]- 291.02387 164.6
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.