CID 6270320

4-((5z)-5-{1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3h-indol-3-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid

Structural Information

Molecular Formula
C23H18ClN3O5S2
SMILES
C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)/C(=O)N2CC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H18ClN3O5S2/c24-13-7-9-14(10-8-13)25-17(28)12-27-16-5-2-1-4-15(16)19(21(27)31)20-22(32)26(23(33)34-20)11-3-6-18(29)30/h1-2,4-5,7-10H,3,6,11-12H2,(H,25,28)(H,29,30)/b20-19-
InChIKey
JLNRNDPZNJUALJ-VXPUYCOJSA-N
Compound name
4-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

515.03766 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.04494 217.4
[M+Na]+ 538.02688 226.2
[M+NH4]+ 533.07148 221.6
[M+K]+ 554.00082 220.4
[M-H]- 514.03038 219.2
[M+Na-2H]- 536.01233 218.8
[M]+ 515.03711 219.8
[M]- 515.03821 219.8
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.