CID 11015287

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

Structural Information

Molecular Formula
C16H11BrN4OS2
SMILES
C1C(=O)N(/C(=N\NC2=NC3=CC=CC=C3S2)/S1)C4=CC=C(C=C4)Br
InChI
InChI=1S/C16H11BrN4OS2/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
SQDSDWCRHUAINW-CAPFRKAQSA-N
Compound name
(2E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-3-(4-bromophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.95578 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.96306 169.8
[M+Na]+ 440.94500 184.9
[M-H]- 416.94850 182.9
[M+NH4]+ 435.98960 187.9
[M+K]+ 456.91894 171.2
[M+H-H2O]+ 400.95304 170.1
[M+HCOO]- 462.95398 185.2
[M+CH3COO]- 476.96963 184.2
[M+Na-2H]- 438.93045 173.7
[M]+ 417.95523 191.8
[M]- 417.95633 191.8
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.