CID 10448993

Ethyl 2-((2-methoxyphenoxy)methyl)-alpha-oxo-3-thiazolidineacetate

Structural Information

Molecular Formula
C15H19NO5S
SMILES
CCOC(=O)C(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C15H19NO5S/c1-3-20-15(18)14(17)16-8-9-22-13(16)10-21-12-7-5-4-6-11(12)19-2/h4-7,13H,3,8-10H2,1-2H3
InChIKey
RZPQORQNKKOEJC-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

325.0984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10568 175.1
[M+Na]+ 348.08762 180.7
[M-H]- 324.09112 180.2
[M+NH4]+ 343.13222 190.0
[M+K]+ 364.06156 179.1
[M+H-H2O]+ 308.09566 167.6
[M+HCOO]- 370.09660 190.2
[M+CH3COO]- 384.11225 202.5
[M+Na-2H]- 346.07307 172.2
[M]+ 325.09785 180.5
[M]- 325.09895 180.5
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