CID 5941156

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

Structural Information

Molecular Formula
C25H25N3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C25H25N3O3S2/c1-2-3-15-27-24(31)22(33-25(27)32)21-18-11-7-8-12-19(18)28(23(21)30)16-20(29)26-14-13-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,26,29)/b22-21-
InChIKey
DRHQFSVYYDUKNG-DQRAZIAOSA-N
Compound name
2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.13373 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.14101 214.3
[M+Na]+ 502.12295 223.6
[M+NH4]+ 497.16755 219.9
[M+K]+ 518.09689 216.0
[M-H]- 478.12645 217.9
[M+Na-2H]- 500.10840 217.0
[M]+ 479.13318 217.2
[M]- 479.13428 217.2
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.