CID 5931747

N-(4-ethoxyphenyl)-2-{(3z)-3-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C26H27N3O5S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)OCC)/SC1=S
InChI
InChI=1S/C26H27N3O5S2/c1-3-33-15-7-14-28-25(32)23(36-26(28)35)22-19-8-5-6-9-20(19)29(24(22)31)16-21(30)27-17-10-12-18(13-11-17)34-4-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,27,30)/b23-22-
InChIKey
TUOYBUOWSUERSZ-FCQUAONHSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.1392 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.14648 225.3
[M+Na]+ 548.12842 233.6
[M+NH4]+ 543.17302 229.5
[M+K]+ 564.10236 227.0
[M-H]- 524.13192 227.9
[M+Na-2H]- 546.11387 226.8
[M]+ 525.13865 227.7
[M]- 525.13975 227.7
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.