CID 10992402

(2e)-2-(1,3-benzothiazol-2-ylhydrazono)-3-(4-chlorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H11ClN4OS2
SMILES
C1C(=O)N(/C(=N\NC2=NC3=CC=CC=C3S2)/S1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H11ClN4OS2/c17-10-5-7-11(8-6-10)21-14(22)9-23-16(21)20-19-15-18-12-3-1-2-4-13(12)24-15/h1-8H,9H2,(H,18,19)/b20-16+
InChIKey
GHHRRTFVNBAOKC-CAPFRKAQSA-N
Compound name
(2E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.0063 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.01358 182.8
[M+Na]+ 396.99552 195.3
[M-H]- 372.99902 193.6
[M+NH4]+ 392.04012 199.4
[M+K]+ 412.96946 187.7
[M+H-H2O]+ 357.00356 176.6
[M+HCOO]- 419.00450 195.0
[M+CH3COO]- 433.02015 194.6
[M+Na-2H]- 394.98097 183.2
[M]+ 374.00575 188.4
[M]- 374.00685 188.4
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.