CID 5930214

2-[(3z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C23H20ClN3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C23H20ClN3O3S2/c1-2-3-12-26-22(30)20(32-23(26)31)19-14-8-4-7-11-17(14)27(21(19)29)13-18(28)25-16-10-6-5-9-15(16)24/h4-11H,2-3,12-13H2,1H3,(H,25,28)/b20-19-
InChIKey
VJDYGXRCFJBDFV-VXPUYCOJSA-N
Compound name
2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.06348 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.07076 213.7
[M+Na]+ 508.05270 224.5
[M+NH4]+ 503.09730 219.8
[M+K]+ 524.02664 216.5
[M-H]- 484.05620 217.4
[M+Na-2H]- 506.03815 216.5
[M]+ 485.06293 217.2
[M]- 485.06403 217.2
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.