CID 6474464

2-(4-acetamidophenoxy)-n-[5-methyl-4-oxo-2-[(e)-styryl]thiazolidin-3-yl]acetamide

Structural Information

Molecular Formula
C22H23N3O4S
SMILES
CC1C(=O)N(C(S1)/C=C/C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C22H23N3O4S/c1-15-22(28)25(21(30-15)13-8-17-6-4-3-5-7-17)24-20(27)14-29-19-11-9-18(10-12-19)23-16(2)26/h3-13,15,21H,14H2,1-2H3,(H,23,26)(H,24,27)/b13-8+
InChIKey
YWRIDTLTXYQLHW-MDWZMJQESA-N
Compound name
2-(4-acetamidophenoxy)-N-[5-methyl-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

425.14093 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14821 201.8
[M+Na]+ 448.13015 206.1
[M-H]- 424.13365 209.9
[M+NH4]+ 443.17475 211.7
[M+K]+ 464.10409 200.7
[M+H-H2O]+ 408.13819 192.5
[M+HCOO]- 470.13913 218.0
[M+CH3COO]- 484.15478 228.5
[M+Na-2H]- 446.11560 198.2
[M]+ 425.14038 203.5
[M]- 425.14148 203.5
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.