CID 6478095

5-[(3,4-dibromophenyl)methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H10Br2N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Br)Br)/SC2=S
InChI
InChI=1S/C16H10Br2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H/b14-9+
InChIKey
NACVLMCELLJDQF-NTEUORMPSA-N
Compound name
N-[(5E)-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

531.822 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.82928 153.4
[M+Na]+ 554.81122 166.1
[M-H]- 530.81472 163.5
[M+NH4]+ 549.85582 166.6
[M+K]+ 570.78516 146.9
[M+H-H2O]+ 514.81926 162.3
[M+HCOO]- 576.82020 157.5
[M+CH3COO]- 590.83585 230.6
[M+Na-2H]- 552.79667 158.7
[M]+ 531.82145 186.6
[M]- 531.82255 186.6
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.