CID 5917795

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

Structural Information

Molecular Formula
C26H19ClN2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl)/C2=O
InChI
InChI=1S/C26H19ClN2O2S2/c1-16-10-12-17(13-11-16)14-28-21-9-5-3-7-19(21)22(24(28)30)23-25(31)29(26(32)33-23)15-18-6-2-4-8-20(18)27/h2-13H,14-15H2,1H3/b23-22-
InChIKey
FEZWPNRLLWHLAY-FCQUAONHSA-N
Compound name
(5Z)-3-[(2-chlorophenyl)methyl]-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

490.05765 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.06493 215.3
[M+Na]+ 513.04687 231.0
[M+NH4]+ 508.09147 223.6
[M+K]+ 529.02081 220.3
[M-H]- 489.05037 222.5
[M+Na-2H]- 511.03232 221.8
[M]+ 490.05710 220.9
[M]- 490.05820 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.