CID 3012186

4-thiazolidinone, 2-(2,6-dichlorophenyl)-3-(2-pyrimidinyl)-

Structural Information

Molecular Formula
C13H9Cl2N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC=CC=N3
InChI
InChI=1S/C13H9Cl2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKey
IJXJFWVUARTVFE-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.98434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99162 168.9
[M+Na]+ 347.97356 180.4
[M-H]- 323.97706 174.8
[M+NH4]+ 343.01816 182.8
[M+K]+ 363.94750 173.3
[M+H-H2O]+ 307.98160 160.6
[M+HCOO]- 369.98254 174.5
[M+CH3COO]- 383.99819 179.9
[M+Na-2H]- 345.95901 167.6
[M]+ 324.98379 171.9
[M]- 324.98489 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

literature stripe

Patent stripe

No patent data available for this compound.