CID 3074754

161364-66-5

Structural Information

Molecular Formula
C16H21NO6S
SMILES
CCOC(=O)CC(=O)N1CCS(=O)C1COC2=CC=CC=C2OC
InChI
InChI=1S/C16H21NO6S/c1-3-22-16(19)10-14(18)17-8-9-24(20)15(17)11-23-13-7-5-4-6-12(13)21-2/h4-7,15H,3,8-11H2,1-2H3
InChIKey
YYTYBZRYRDEXJC-UHFFFAOYSA-N
Compound name
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.10895 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11623 181.7
[M+Na]+ 378.09817 190.0
[M+NH4]+ 373.14277 186.4
[M+K]+ 394.07211 186.0
[M-H]- 354.10167 181.6
[M+Na-2H]- 376.08362 183.7
[M]+ 355.10840 182.8
[M]- 355.10950 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.