CID 5941158

N-(4-ethoxyphenyl)-2-[(3z)-3-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C28H31N3O4S2
SMILES
CCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)OCC)/SC1=S
InChI
InChI=1S/C28H31N3O4S2/c1-3-5-6-7-10-17-30-27(34)25(37-28(30)36)24-21-11-8-9-12-22(21)31(26(24)33)18-23(32)29-19-13-15-20(16-14-19)35-4-2/h8-9,11-16H,3-7,10,17-18H2,1-2H3,(H,29,32)/b25-24-
InChIKey
BAOGLKDXFIPCMX-IZHYLOQSSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(3Z)-3-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.1756 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.18288 230.6
[M+Na]+ 560.16482 236.5
[M-H]- 536.16832 237.8
[M+NH4]+ 555.20942 238.9
[M+K]+ 576.13876 228.4
[M+H-H2O]+ 520.17286 223.6
[M+HCOO]- 582.17380 237.9
[M+CH3COO]- 596.18945 247.6
[M+Na-2H]- 558.15027 222.1
[M]+ 537.17505 236.6
[M]- 537.17615 236.6
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.