CID 3012195

Chembl449618

Structural Information

Molecular Formula
C15H13Cl2N3O2S
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)OC
InChI
InChI=1S/C15H13Cl2N3O2S/c1-8-6-11(22-2)19-15(18-8)20-12(21)7-23-14(20)13-9(16)4-3-5-10(13)17/h3-6,14H,7H2,1-2H3
InChIKey
HDFAANFHMOANOW-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.01056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01784 180.6
[M+Na]+ 391.99978 192.6
[M-H]- 368.00328 187.0
[M+NH4]+ 387.04438 193.2
[M+K]+ 407.97372 185.7
[M+H-H2O]+ 352.00782 172.5
[M+HCOO]- 414.00876 185.7
[M+CH3COO]- 428.02441 191.2
[M+Na-2H]- 389.98523 177.2
[M]+ 369.01001 186.5
[M]- 369.01111 186.5
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.