CID 1591695

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

Structural Information

Molecular Formula

C₂₂H₂₀N₂O₂S₂

SMILES

CCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC=CC=C4)/C1=O

InChI

InChI=1S/C22H20N2O2S2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)19-21(26)24(22(27)28-19)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3/b19-18-

InChIKey

IDYSZYJCWJAQBC-HNENSFHCSA-N

Compound name

(5Z)-5-(2-oxo-1-pentylindol-3-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.09662 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.103896	198.7
[M+Na]+	431.085838	209.0
[M-H]-	407.089344	207.2
[M+NH4]+	426.130443	213.1
[M+K]+	447.059778	200.6
[M+H-H2O]+	391.093880	192.6
[M+HCOO]-	453.094821	207.9
[M+CH3COO]-	467.110471	208.3
[M+Na-2H]-	429.071286	191.7
[M]+	408.09607142	201.9
[M]-	408.09716858	201.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.