CID 5928761

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-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C26H27N3O4S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C26H27N3O4S2/c1-2-33-16-8-15-28-25(32)23(35-26(28)34)22-19-11-6-7-12-20(19)29(24(22)31)17-21(30)27-14-13-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3,(H,27,30)/b23-22-
InChIKey
BIJDJHIZQJXDMI-FCQUAONHSA-N
Compound name
2-[(3Z)-3-[3-(3-ethoxypropyl)-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

509.1443 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.151576 222.7
[M+Na]+ 532.133518 228.8
[M-H]- 508.137024 230.0
[M+NH4]+ 527.178123 231.8
[M+K]+ 548.107458 221.0
[M+H-H2O]+ 492.141560 215.6
[M+HCOO]- 554.142501 230.7
[M+CH3COO]- 568.158151 240.7
[M+Na-2H]- 530.118966 215.5
[M]+ 509.14375142 227.6
[M]- 509.14484858 227.6
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.