CID 6478149

4-bromo-n-[(5z)-5-[(3,4-dibromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C16H9Br3N2O3S3
SMILES
C1=CC(=CC=C1S(=O)(=O)NN2C(=O)/C(=C/C3=CC(=C(C=C3)Br)Br)/SC2=S)Br
InChI
InChI=1S/C16H9Br3N2O3S3/c17-10-2-4-11(5-3-10)27(23,24)20-21-15(22)14(26-16(21)25)8-9-1-6-12(18)13(19)7-9/h1-8,20H/b14-8-
InChIKey
NDBWVDKXKMZMHC-ZSOIEALJSA-N
Compound name
4-bromo-N-[(5Z)-5-[(3,4-dibromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.73254 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.73982 141.3
[M+Na]+ 632.72176 150.9
[M-H]- 608.72526 149.4
[M+NH4]+ 627.76636 151.9
[M+K]+ 648.69570 133.6
[M+H-H2O]+ 592.72980 156.8
[M+HCOO]- 654.73074 143.3
[M+CH3COO]- 668.74639 240.9
[M+Na-2H]- 630.70721 146.4
[M]+ 609.73199 181.1
[M]- 609.73309 181.1
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.