CID 16728906

2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one

Structural Information

Molecular Formula
C20H15Cl2N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H15Cl2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKey
DJWLQTYNNCVURN-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

415.03128 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.03856 195.4
[M+Na]+ 438.02050 206.8
[M-H]- 414.02400 204.2
[M+NH4]+ 433.06510 205.6
[M+K]+ 453.99444 197.9
[M+H-H2O]+ 398.02854 185.4
[M+HCOO]- 460.02948 200.0
[M+CH3COO]- 474.04513 204.8
[M+Na-2H]- 436.00595 191.5
[M]+ 415.03073 199.4
[M]- 415.03183 199.4
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.