CID 473190

2-[2-(3-furyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-4-oxo-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C19H21NO5S
SMILES
CC1=CC(=C(C=C1N2C(SC(C2=O)CC(=O)O)C3=COC=C3)C(C)C)O
InChI
InChI=1S/C19H21NO5S/c1-10(2)13-7-14(11(3)6-15(13)21)20-18(24)16(8-17(22)23)26-19(20)12-4-5-25-9-12/h4-7,9-10,16,19,21H,8H2,1-3H3,(H,22,23)
InChIKey
ZDOQGXJERPLIKY-UHFFFAOYSA-N
Compound name
2-[2-(furan-3-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12132 187.8
[M+Na]+ 398.10326 195.4
[M-H]- 374.10676 195.8
[M+NH4]+ 393.14786 200.4
[M+K]+ 414.07720 192.3
[M+H-H2O]+ 358.11130 182.4
[M+HCOO]- 420.11224 200.0
[M+CH3COO]- 434.12789 213.1
[M+Na-2H]- 396.08871 180.5
[M]+ 375.11349 192.0
[M]- 375.11459 192.0
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.