CID 3074755

161364-67-6

Structural Information

Molecular Formula
C16H21NO7S
SMILES
CCOC(=O)CC(=O)N1CCS(=O)(=O)C1COC2=CC=CC=C2OC
InChI
InChI=1S/C16H21NO7S/c1-3-23-16(19)10-14(18)17-8-9-25(20,21)15(17)11-24-13-7-5-4-6-12(13)22-2/h4-7,15H,3,8-11H2,1-2H3
InChIKey
FMCOVILDNWWUGH-UHFFFAOYSA-N
Compound name
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazolidin-3-yl]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.10388 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11116 183.7
[M+Na]+ 394.09310 191.6
[M+NH4]+ 389.13770 189.0
[M+K]+ 410.06704 186.4
[M-H]- 370.09660 182.7
[M+Na-2H]- 392.07855 187.0
[M]+ 371.10333 184.6
[M]- 371.10443 184.6
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.