CID 5940364

(3z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(4-methylbenzyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C21H18N2O2S2
SMILES
CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C21H18N2O2S2/c1-3-22-20(25)18(27-21(22)26)17-15-6-4-5-7-16(15)23(19(17)24)12-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3/b18-17-
InChIKey
BMSOTRLUIAMTFU-ZCXUNETKSA-N
Compound name
(5Z)-3-ethyl-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.08096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.088236 194.7
[M+Na]+ 417.070178 206.1
[M-H]- 393.073684 203.7
[M+NH4]+ 412.114783 209.8
[M+K]+ 433.044118 198.0
[M+H-H2O]+ 377.078220 189.0
[M+HCOO]- 439.079161 204.0
[M+CH3COO]- 453.094811 205.0
[M+Na-2H]- 415.055626 187.5
[M]+ 394.08041142 198.0
[M]- 394.08150858 198.0
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.