CID 5840732

N-(3,4-dimethylphenyl)-2-[(3z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C23H21N3O3S2
SMILES
CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C23H21N3O3S2/c1-4-25-22(29)20(31-23(25)30)19-16-7-5-6-8-17(16)26(21(19)28)12-18(27)24-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H,24,27)/b20-19-
InChIKey
CGIUQNIUXWVMAR-VXPUYCOJSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.10245 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.10973 208.7
[M+Na]+ 474.09167 219.1
[M+NH4]+ 469.13627 214.6
[M+K]+ 490.06561 212.1
[M-H]- 450.09517 212.5
[M+Na-2H]- 472.07712 211.2
[M]+ 451.10190 211.9
[M]- 451.10300 211.9
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.