CID 3074751

2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid

Structural Information

Molecular Formula
C14H17NO5S
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)O
InChI
InChI=1S/C14H17NO5S/c1-19-10-4-2-3-5-11(10)20-9-13-15(6-7-21-13)12(16)8-14(17)18/h2-5,13H,6-9H2,1H3,(H,17,18)
InChIKey
GVOZKQGYCKWOJP-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

311.08273 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09001 170.4
[M+Na]+ 334.07195 178.7
[M+NH4]+ 329.11655 176.0
[M+K]+ 350.04589 174.7
[M-H]- 310.07545 170.5
[M+Na-2H]- 332.05740 173.0
[M]+ 311.08218 171.6
[M]- 311.08328 171.6
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

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