CID 6478148

{5-[(3,4-dichlorophenyl)methylene]-4-hydroxy-2-thioxo(1,3-thiazolidin-3-yl)}(phenylsulfonyl)amine

Structural Information

Molecular Formula
C16H12Cl2N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(/C(=C/C3=CC(=C(C=C3)Cl)Cl)/SC2=S)O
InChI
InChI=1S/C16H12Cl2N2O3S3/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/h1-9,15,19,21H/b14-9-
InChIKey
NGHLWBBDRCDPAN-ZROIWOOFSA-N
Compound name
N-[(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.93872 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.94600 197.1
[M+Na]+ 468.92794 206.6
[M-H]- 444.93144 203.6
[M+NH4]+ 463.97254 208.2
[M+K]+ 484.90188 196.0
[M+H-H2O]+ 428.93598 193.1
[M+HCOO]- 490.93692 193.2
[M+CH3COO]- 504.95257 204.8
[M+Na-2H]- 466.91339 195.1
[M]+ 445.93817 199.0
[M]- 445.93927 199.0
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.