CID 6298008

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

Structural Information

Molecular Formula
C24H24N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C24H24N2O2S2/c1-3-4-7-14-25-23(28)21(30-24(25)29)20-18-8-5-6-9-19(18)26(22(20)27)15-17-12-10-16(2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3/b21-20-
InChIKey
GAMJZRWEKGMJHO-MRCUWXFGSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.12793 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13521 206.5
[M+Na]+ 459.11715 218.5
[M+NH4]+ 454.16175 213.7
[M+K]+ 475.09109 209.4
[M-H]- 435.12065 210.9
[M+Na-2H]- 457.10260 209.6
[M]+ 436.12738 210.3
[M]- 436.12848 210.3
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.