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 180.9
[M+Na]+ 394.09310 187.6
[M-H]- 370.09660 186.3
[M+NH4]+ 389.13770 195.8
[M+K]+ 410.06704 186.2
[M+H-H2O]+ 354.10114 174.5
[M+HCOO]- 416.10208 196.3
[M+CH3COO]- 430.11773 209.8
[M+Na-2H]- 392.07855 179.5
[M]+ 371.10333 189.1
[M]- 371.10443 189.1
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.