CID 6474463

2-(4-acetamidophenoxy)-n-[4-oxo-2-[(e)-styryl]thiazolidin-3-yl]acetamide

Structural Information

Molecular Formula
C21H21N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)NN2C(SCC2=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H21N3O4S/c1-15(25)22-17-8-10-18(11-9-17)28-13-19(26)23-24-20(27)14-29-21(24)12-7-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,22,25)(H,23,26)/b12-7+
InChIKey
SDOUMIXGXMUZAG-KPKJPENVSA-N
Compound name
2-(4-acetamidophenoxy)-N-[4-oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12527 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13255 197.3
[M+Na]+ 434.11449 201.2
[M-H]- 410.11799 205.1
[M+NH4]+ 429.15909 207.4
[M+K]+ 450.08843 195.9
[M+H-H2O]+ 394.12253 187.9
[M+HCOO]- 456.12347 213.8
[M+CH3COO]- 470.13912 224.3
[M+Na-2H]- 432.09994 194.8
[M]+ 411.12472 198.2
[M]- 411.12582 198.2
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.