CID 5859598

2-{(3z)-3-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}-n-(4-ethoxyphenyl)acetamide

Structural Information

Molecular Formula
C28H22ClN3O4S2
SMILES
CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl)/C2=O
InChI
InChI=1S/C28H22ClN3O4S2/c1-2-36-19-13-11-18(12-14-19)30-23(33)16-31-22-10-6-4-8-20(22)24(26(31)34)25-27(35)32(28(37)38-25)15-17-7-3-5-9-21(17)29/h3-14H,2,15-16H2,1H3,(H,30,33)/b25-24-
InChIKey
DBKHUCPKVUKSIB-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.07404 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.08132 235.0
[M+Na]+ 586.06326 243.7
[M-H]- 562.06676 246.4
[M+NH4]+ 581.10786 242.9
[M+K]+ 602.03720 234.8
[M+H-H2O]+ 546.07130 228.4
[M+HCOO]- 608.07224 239.3
[M+CH3COO]- 622.08789 241.8
[M+Na-2H]- 584.04871 227.4
[M]+ 563.07349 241.3
[M]- 563.07459 241.3
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.