CID 508439

Chembl321626

Structural Information

Molecular Formula
C20H21NO4S
SMILES
CCOC(=O)C(C)N1C(SCC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H21NO4S/c1-3-24-20(23)14(2)21-18(22)13-26-19(21)15-8-7-11-17(12-15)25-16-9-5-4-6-10-16/h4-12,14,19H,3,13H2,1-2H3
InChIKey
LGUROHQUYAYSDQ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.11914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12642 188.0
[M+Na]+ 394.10836 193.7
[M-H]- 370.11186 196.3
[M+NH4]+ 389.15296 200.7
[M+K]+ 410.08230 190.0
[M+H-H2O]+ 354.11640 179.5
[M+HCOO]- 416.11734 202.7
[M+CH3COO]- 430.13299 213.7
[M+Na-2H]- 392.09381 184.2
[M]+ 371.11859 191.7
[M]- 371.11969 191.7
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.