CID 473173

2-(3-furyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-5-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CC1C(=O)N(C(S1)C2=COC=C2)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C18H21NO3S/c1-10(2)14-8-15(11(3)7-16(14)20)19-17(21)12(4)23-18(19)13-5-6-22-9-13/h5-10,12,18,20H,1-4H3
InChIKey
NXMXBQSYWDBYKV-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13148 178.0
[M+Na]+ 354.11342 187.4
[M-H]- 330.11692 187.5
[M+NH4]+ 349.15802 193.7
[M+K]+ 370.08736 184.0
[M+H-H2O]+ 314.12146 172.6
[M+HCOO]- 376.12240 192.6
[M+CH3COO]- 390.13805 207.7
[M+Na-2H]- 352.09887 171.9
[M]+ 331.12365 182.2
[M]- 331.12475 182.2
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.