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]+ 395.08824 194.3
[M+Na]+ 417.07018 207.0
[M+NH4]+ 412.11478 202.1
[M+K]+ 433.04412 198.5
[M-H]- 393.07368 198.9
[M+Na-2H]- 415.05563 198.1
[M]+ 394.08041 198.3
[M]- 394.08151 198.3
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.