CID 3053332

69791-53-3

Structural Information

Molecular Formula
C16H11ClN2OS2
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H11ClN2OS2/c17-11-6-2-1-5-10(11)15-19(14(20)9-21-15)16-18-12-7-3-4-8-13(12)22-16/h1-8,15H,9H2
InChIKey
VUZQOWGNWXNMAL-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.00012 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.00740 176.8
[M+Na]+ 368.98934 190.5
[M-H]- 344.99284 186.6
[M+NH4]+ 364.03394 194.7
[M+K]+ 384.96328 183.1
[M+H-H2O]+ 328.99738 171.5
[M+HCOO]- 390.99832 185.7
[M+CH3COO]- 405.01397 189.2
[M+Na-2H]- 366.97479 174.6
[M]+ 345.99957 182.7
[M]- 346.00067 182.7
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.