CID 6478109

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

Structural Information

Molecular Formula
C20H12Cl2N2O3S3
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NN3C(=O)/C(=C\C4=CC(=C(C=C4)Cl)Cl)/SC3=S
InChI
InChI=1S/C20H12Cl2N2O3S3/c21-15-9-8-12(10-16(15)22)11-17-19(25)24(20(28)29-17)23-30(26,27)18-7-3-5-13-4-1-2-6-14(13)18/h1-11,23H/b17-11+
InChIKey
UTYNUVGCTDYONJ-GZTJUZNOSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.93872 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.94600 211.1
[M+Na]+ 516.92794 221.8
[M-H]- 492.93144 219.4
[M+NH4]+ 511.97254 221.9
[M+K]+ 532.90188 211.3
[M+H-H2O]+ 476.93598 206.9
[M+HCOO]- 538.93692 207.6
[M+CH3COO]- 552.95257 218.7
[M+Na-2H]- 514.91339 210.7
[M]+ 493.93817 215.3
[M]- 493.93927 215.3
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.