CID 44562988

Chembl488445

Structural Information

Molecular Formula
C15H12Cl2N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)CC3=CN=CC=C3
InChI
InChI=1S/C15H12Cl2N2OS/c16-11-4-1-5-12(17)14(11)15-19(13(20)9-21-15)8-10-3-2-6-18-7-10/h1-7,15H,8-9H2
InChIKey
LWXCPGHJKWJLOG-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.00473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01201 174.1
[M+Na]+ 360.99395 184.8
[M-H]- 336.99745 181.1
[M+NH4]+ 356.03855 188.9
[M+K]+ 376.96789 177.3
[M+H-H2O]+ 321.00199 166.4
[M+HCOO]- 383.00293 180.5
[M+CH3COO]- 397.01858 185.0
[M+Na-2H]- 358.97940 172.0
[M]+ 338.00418 177.6
[M]- 338.00528 177.6
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.