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]+ 510.15158 222.7
[M+Na]+ 532.13352 228.8
[M-H]- 508.13702 230.0
[M+NH4]+ 527.17812 231.8
[M+K]+ 548.10746 221.0
[M+H-H2O]+ 492.14156 215.6
[M+HCOO]- 554.14250 230.7
[M+CH3COO]- 568.15815 240.7
[M+Na-2H]- 530.11897 215.5
[M]+ 509.14375 227.6
[M]- 509.14485 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.