CID 6268160

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

Structural Information

Molecular Formula
C25H25N3O5S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)OC)/SC1=S
InChI
InChI=1S/C25H25N3O5S2/c1-3-33-14-6-13-27-24(31)22(35-25(27)34)21-18-7-4-5-8-19(18)28(23(21)30)15-20(29)26-16-9-11-17(32-2)12-10-16/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,26,29)/b22-21-
InChIKey
BMJQCJCIAYBAAF-DQRAZIAOSA-N
Compound name
2-[(3Z)-3-[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.12357 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.13085 221.7
[M+Na]+ 534.11279 228.4
[M-H]- 510.11629 229.4
[M+NH4]+ 529.15739 230.8
[M+K]+ 550.08673 221.6
[M+H-H2O]+ 494.12083 215.0
[M+HCOO]- 556.12177 230.1
[M+CH3COO]- 570.13742 241.4
[M+Na-2H]- 532.09824 214.8
[M]+ 511.12302 228.1
[M]- 511.12412 228.1
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.