CID 5938314

2-[(3z)-3-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(4-ethoxyphenyl)acetamide

Structural Information

Molecular Formula
C25H25N3O4S2
SMILES
CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)OCC)/SC1=S
InChI
InChI=1S/C25H25N3O4S2/c1-4-15(3)28-24(31)22(34-25(28)33)21-18-8-6-7-9-19(18)27(23(21)30)14-20(29)26-16-10-12-17(13-11-16)32-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,26,29)/b22-21-
InChIKey
MBTGWVFEIUQNLS-DQRAZIAOSA-N
Compound name
2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.12866 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.13594 219.0
[M+Na]+ 518.11788 225.8
[M-H]- 494.12138 226.9
[M+NH4]+ 513.16248 228.9
[M+K]+ 534.09182 218.9
[M+H-H2O]+ 478.12592 212.8
[M+HCOO]- 540.12686 226.2
[M+CH3COO]- 554.14251 240.1
[M+Na-2H]- 516.10333 210.9
[M]+ 495.12811 223.7
[M]- 495.12921 223.7
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.