CID 10360721

Ethyl 2-((2-methoxyphenoxy)methyl)-gamma-oxo-3-thiazolidinebutanoate

Structural Information

Molecular Formula
C17H23NO5S
SMILES
CCOC(=O)CCC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C17H23NO5S/c1-3-22-17(20)9-8-15(19)18-10-11-24-16(18)12-23-14-7-5-4-6-13(14)21-2/h4-7,16H,3,8-12H2,1-2H3
InChIKey
VZVZUNCYCIVOQN-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

353.1297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13698 183.6
[M+Na]+ 376.11892 188.3
[M-H]- 352.12242 188.3
[M+NH4]+ 371.16352 197.3
[M+K]+ 392.09286 186.2
[M+H-H2O]+ 336.12696 175.7
[M+HCOO]- 398.12790 198.0
[M+CH3COO]- 412.14355 209.0
[M+Na-2H]- 374.10437 179.8
[M]+ 353.12915 189.7
[M]- 353.13025 189.7
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

patents stripe