CID 5789209

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

Structural Information

Molecular Formula
C23H20ClN3O3S2
SMILES
CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Cl)/SC1=S
InChI
InChI=1S/C23H20ClN3O3S2/c1-3-13(2)27-22(30)20(32-23(27)31)19-16-9-4-5-10-17(16)26(21(19)29)12-18(28)25-15-8-6-7-14(24)11-15/h4-11,13H,3,12H2,1-2H3,(H,25,28)/b20-19-
InChIKey
KBARPUZLQFRCNG-VXPUYCOJSA-N
Compound name
2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.06348 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.07076 212.7
[M+Na]+ 508.05270 223.2
[M+NH4]+ 503.09730 218.7
[M+K]+ 524.02664 216.0
[M-H]- 484.05620 216.2
[M+Na-2H]- 506.03815 215.4
[M]+ 485.06293 216.1
[M]- 485.06403 216.1
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.