CID 1585505

3-[(5z)-5-(3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid

Structural Information

Molecular Formula
C14H13NO5S
SMILES
COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)O
InChI
InChI=1S/C14H13NO5S/c1-20-10-4-2-3-9(7-10)8-11-13(18)15(14(19)21-11)6-5-12(16)17/h2-4,7-8H,5-6H2,1H3,(H,16,17)/b11-8-
InChIKey
LKEUUXMNNQMEEH-FLIBITNWSA-N
Compound name
3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.058726 167.7
[M+Na]+ 330.040668 175.8
[M-H]- 306.044174 172.2
[M+NH4]+ 325.085273 182.9
[M+K]+ 346.014608 171.6
[M+H-H2O]+ 290.048710 161.2
[M+HCOO]- 352.049651 182.8
[M+CH3COO]- 366.065301 198.6
[M+Na-2H]- 328.026116 164.7
[M]+ 307.05090142 171.0
[M]- 307.05199858 171.0
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

No patent data available for this compound.