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]+ 356.095106 185.1
[M+Na]+ 378.077048 193.0
[M-H]- 354.080554 193.8
[M+NH4]+ 373.121653 198.9
[M+K]+ 394.050988 188.3
[M+H-H2O]+ 338.085090 178.9
[M+HCOO]- 400.086031 200.2
[M+CH3COO]- 414.101681 206.9
[M+Na-2H]- 376.062496 179.7
[M]+ 355.08728142 187.8
[M]- 355.08837858 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.