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 174.8
[M+Na]+ 348.08762 180.4
[M-H]- 324.09112 179.9
[M+NH4]+ 343.13222 189.6
[M+K]+ 364.06156 178.7
[M+H-H2O]+ 308.09566 167.3
[M+HCOO]- 370.09660 189.9
[M+CH3COO]- 384.11225 203.2
[M+Na-2H]- 346.07307 172.0
[M]+ 325.09785 180.3
[M]- 325.09895 180.3
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.