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 180.8
[M+Na]+ 378.09817 186.7
[M-H]- 354.10167 186.0
[M+NH4]+ 373.14277 194.4
[M+K]+ 394.07211 184.8
[M+H-H2O]+ 338.10621 173.3
[M+HCOO]- 400.10715 195.8
[M+CH3COO]- 414.12280 208.8
[M+Na-2H]- 376.08362 177.1
[M]+ 355.10840 187.7
[M]- 355.10950 187.7
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.