CID 3074747

3-((acetyloxy)acetyl)-2-((2-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C15H19NO5S
SMILES
CC(=O)OCC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C15H19NO5S/c1-11(17)20-9-14(18)16-7-8-22-15(16)10-21-13-6-4-3-5-12(13)19-2/h3-6,15H,7-10H2,1-2H3
InChIKey
XWRJIIVUYJZKBZ-UHFFFAOYSA-N
Compound name
[2-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0984 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10568 174.6
[M+Na]+ 348.08762 183.3
[M+NH4]+ 343.13222 180.4
[M+K]+ 364.06156 178.8
[M-H]- 324.09112 175.3
[M+Na-2H]- 346.07307 177.6
[M]+ 325.09785 176.1
[M]- 325.09895 176.1
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.