CID 5895384

2-{(3z)-3-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C27H20ClN3O3S2
SMILES
CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl)/C2=O
InChI
InChI=1S/C27H20ClN3O3S2/c1-16-10-12-18(13-11-16)29-22(32)15-30-21-9-5-3-7-19(21)23(25(30)33)24-26(34)31(27(35)36-24)14-17-6-2-4-8-20(17)28/h2-13H,14-15H2,1H3,(H,29,32)/b24-23-
InChIKey
TWEXFPWZUXKHCR-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0635 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.07078 223.7
[M+Na]+ 556.05272 237.1
[M+NH4]+ 551.09732 230.4
[M+K]+ 572.02666 228.0
[M-H]- 532.05622 230.2
[M+Na-2H]- 554.03817 229.5
[M]+ 533.06295 228.6
[M]- 533.06405 228.6
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.