CID 497219

Chembl485656

Structural Information

Molecular Formula
C14H11Cl2N3S2
SMILES
CC1=NC(=NC=C1)N2C(SCC2=S)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C14H11Cl2N3S2/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKey
FYEPGVXDVLFKJX-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.97714 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.98442 174.2
[M+Na]+ 377.96636 186.5
[M-H]- 353.96986 180.3
[M+NH4]+ 373.01096 187.8
[M+K]+ 393.94030 177.9
[M+H-H2O]+ 337.97440 167.4
[M+HCOO]- 399.97534 174.4
[M+CH3COO]- 413.99099 184.6
[M+Na-2H]- 375.95181 170.0
[M]+ 354.97659 177.4
[M]- 354.97769 177.4
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.