CID 5895811

2-{(3z)-3-[3-(4-fluorobenzyl)-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
C27H20FN3O3S2
SMILES
CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)/C2=O
InChI
InChI=1S/C27H20FN3O3S2/c1-16-6-12-19(13-7-16)29-22(32)15-30-21-5-3-2-4-20(21)23(25(30)33)24-26(34)31(27(35)36-24)14-17-8-10-18(28)11-9-17/h2-13H,14-15H2,1H3,(H,29,32)/b24-23-
InChIKey
IZDXERVATZIIHK-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-[3-[(4-fluorophenyl)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

517.093 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.100276 223.5
[M+Na]+ 540.082218 232.6
[M-H]- 516.085724 233.7
[M+NH4]+ 535.126823 232.4
[M+K]+ 556.056158 223.3
[M+H-H2O]+ 500.090260 215.6
[M+HCOO]- 562.091201 231.4
[M+CH3COO]- 576.106851 230.8
[M+Na-2H]- 538.067666 215.7
[M]+ 517.09245142 225.2
[M]- 517.09354858 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.