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 195.3
[M+Na]+ 436.08590 199.7
[M-H]- 412.08940 199.6
[M+NH4]+ 431.13050 206.7
[M+K]+ 452.05984 196.7
[M+H-H2O]+ 396.09394 188.2
[M+HCOO]- 458.09488 203.1
[M+CH3COO]- 472.11053 218.8
[M+Na-2H]- 434.07135 189.0
[M]+ 413.09613 203.1
[M]- 413.09723 203.1
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