CID 3025453

Ethyl 2-((2-methoxyphenoxy)methyl)-3-(2-(acetylthio)acetyl)-1,3-thiazolidine-4-carboxylate

Structural Information

Molecular Formula
C18H23NO6S2
SMILES
CCOC(=O)C1CSC(N1C(=O)CSC(=O)C)COC2=CC=CC=C2OC
InChI
InChI=1S/C18H23NO6S2/c1-4-24-18(22)13-10-27-17(19(13)16(21)11-26-12(2)20)9-25-15-8-6-5-7-14(15)23-3/h5-8,13,17H,4,9-11H2,1-3H3
InChIKey
UDUZDADASODNES-UHFFFAOYSA-N
Compound name
ethyl 3-(2-acetylsulfanylacetyl)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

413.09668 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10396 194.3
[M+Na]+ 436.08590 201.0
[M+NH4]+ 431.13050 198.8
[M+K]+ 452.05984 195.6
[M-H]- 412.08940 194.0
[M+Na-2H]- 434.07135 195.1
[M]+ 413.09613 195.7
[M]- 413.09723 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe