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 220.4
[M+Na]+ 513.04687 232.2
[M-H]- 489.05037 232.3
[M+NH4]+ 508.09147 232.2
[M+K]+ 529.02081 222.1
[M+H-H2O]+ 473.05491 213.9
[M+HCOO]- 535.05585 225.0
[M+CH3COO]- 549.07150 229.1
[M+Na-2H]- 511.03232 211.8
[M]+ 490.05710 225.2
[M]- 490.05820 225.2
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.