CID 3024636

3-(2-benzothiazolyl)-2-(2,6-dichlorophenyl)-4-thiazolidinone

Structural Information

Molecular Formula
C16H10Cl2N2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H10Cl2N2OS2/c17-9-4-3-5-10(18)14(9)15-20(13(21)8-22-15)16-19-11-6-1-2-7-12(11)23-16/h1-7,15H,8H2
InChIKey
VZJBWVIFFMSOOJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.96115 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.96843 184.2
[M+Na]+ 402.95037 198.5
[M-H]- 378.95387 193.6
[M+NH4]+ 397.99497 201.3
[M+K]+ 418.92431 190.6
[M+H-H2O]+ 362.95841 179.3
[M+HCOO]- 424.95935 187.8
[M+CH3COO]- 438.97500 195.8
[M+Na-2H]- 400.93582 180.5
[M]+ 379.96060 191.3
[M]- 379.96170 191.3
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.