CID 5890177

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

Structural Information

Molecular Formula
C29H25N3O3S2
SMILES
CC(C1=CC=CC=C1)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NCCC5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C29H25N3O3S2/c1-19(21-12-6-3-7-13-21)32-28(35)26(37-29(32)36)25-22-14-8-9-15-23(22)31(27(25)34)18-24(33)30-17-16-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3,(H,30,33)/b26-25-
InChIKey
ZUVFYADEVFMHSW-QPLCGJKRSA-N
Compound name
2-[(3Z)-2-oxo-3-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.1337 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.14098 221.5
[M+Na]+ 550.12292 232.6
[M+NH4]+ 545.16752 227.5
[M+K]+ 566.09686 224.7
[M-H]- 526.12642 227.6
[M+Na-2H]- 548.10837 227.4
[M]+ 527.13315 225.5
[M]- 527.13425 225.5
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.