CID 6479431

2-[(2e)-2-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1=COC(=C1)C=C/C=C/2\NC(=O)C(S2)CC(=O)O
InChI
InChI=1S/C12H11NO4S/c14-11(15)7-9-12(16)13-10(18-9)5-1-3-8-4-2-6-17-8/h1-6,9H,7H2,(H,13,16)(H,14,15)/b3-1?,10-5+
InChIKey
YAIAGQUAXCQOJR-LDHFTFCESA-N
Compound name
2-[(2E)-2-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0409 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 161.0
[M+Na]+ 288.03012 168.3
[M-H]- 264.03362 164.7
[M+NH4]+ 283.07472 177.5
[M+K]+ 304.00406 164.6
[M+H-H2O]+ 248.03816 155.8
[M+HCOO]- 310.03910 175.2
[M+CH3COO]- 324.05475 185.3
[M+Na-2H]- 286.01557 157.8
[M]+ 265.04035 160.9
[M]- 265.04145 160.9
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.