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]+ 528.140976 227.5
[M+Na]+ 550.122918 233.8
[M-H]- 526.126424 238.1
[M+NH4]+ 545.167523 235.5
[M+K]+ 566.096858 225.3
[M+H-H2O]+ 510.130960 220.0
[M+HCOO]- 572.131901 234.9
[M+CH3COO]- 586.147551 233.8
[M+Na-2H]- 548.108366 220.0
[M]+ 527.13315142 229.2
[M]- 527.13424858 229.2
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.