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 225.5
[M+Na]+ 548.12842 231.8
[M-H]- 524.13192 233.0
[M+NH4]+ 543.17302 234.0
[M+K]+ 564.10236 224.8
[M+H-H2O]+ 508.13646 218.7
[M+HCOO]- 570.13740 233.5
[M+CH3COO]- 584.15305 244.1
[M+Na-2H]- 546.11387 218.2
[M]+ 525.13865 232.1
[M]- 525.13975 232.1
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.