CID 5894725

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

Structural Information

Molecular Formula
C28H31N3O3S2
SMILES
CCCCC(CC)CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C)/SC1=S
InChI
InChI=1S/C28H31N3O3S2/c1-4-6-12-19(5-2)16-31-27(34)25(36-28(31)35)24-20-13-8-10-15-22(20)30(26(24)33)17-23(32)29-21-14-9-7-11-18(21)3/h7-11,13-15,19H,4-6,12,16-17H2,1-3H3,(H,29,32)/b25-24-
InChIKey
MHJDXJMPHPLCAO-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.18066 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.18794 226.2
[M+Na]+ 544.16988 234.8
[M+NH4]+ 539.21448 231.2
[M+K]+ 560.14382 227.6
[M-H]- 520.17338 229.5
[M+Na-2H]- 542.15533 227.8
[M]+ 521.18011 228.9
[M]- 521.18121 228.9
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.