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]+ 308.05873 167.7
[M+Na]+ 330.04067 175.8
[M-H]- 306.04417 172.2
[M+NH4]+ 325.08527 182.9
[M+K]+ 346.01461 171.6
[M+H-H2O]+ 290.04871 161.2
[M+HCOO]- 352.04965 182.8
[M+CH3COO]- 366.06530 198.6
[M+Na-2H]- 328.02612 164.7
[M]+ 307.05090 171.0
[M]- 307.05200 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.