CID 6479432

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

Structural Information

Molecular Formula
C19H17NO4S
SMILES
CC1=CC=C(C=C1)N2/C(=C\C=CC3=CC=CO3)/SC(C2=O)CC(=O)O
InChI
InChI=1S/C19H17NO4S/c1-13-7-9-14(10-8-13)20-17(6-2-4-15-5-3-11-24-15)25-16(19(20)23)12-18(21)22/h2-11,16H,12H2,1H3,(H,21,22)/b4-2?,17-6+
InChIKey
MDBNWLAZIDVYQW-VVDITIHYSA-N
Compound name
2-[(2E)-2-[3-(furan-2-yl)prop-2-enylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.08783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09511 185.1
[M+Na]+ 378.07705 193.0
[M-H]- 354.08055 193.8
[M+NH4]+ 373.12165 198.9
[M+K]+ 394.05099 188.3
[M+H-H2O]+ 338.08509 178.9
[M+HCOO]- 400.08603 200.2
[M+CH3COO]- 414.10168 206.9
[M+Na-2H]- 376.06250 179.7
[M]+ 355.08728 187.8
[M]- 355.08838 187.8
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.