CID 16728903

2-(2,6-dichlorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one

Structural Information

Molecular Formula
C15H10Cl2F3N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H10Cl2F3N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKey
RCRBVTFUVCYAKZ-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.98737 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.99465 184.8
[M+Na]+ 429.97659 197.4
[M-H]- 405.98009 187.4
[M+NH4]+ 425.02119 196.0
[M+K]+ 445.95053 189.0
[M+H-H2O]+ 389.98463 174.3
[M+HCOO]- 451.98557 185.2
[M+CH3COO]- 466.00122 194.0
[M+Na-2H]- 427.96204 180.8
[M]+ 406.98682 186.1
[M]- 406.98792 186.1
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.