CID 42607516

Flemistrictin b

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(C)(C1CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C20H20O4/c1-20(2,23)18-12-15-17(24-18)11-9-14(19(15)22)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+
InChIKey
VQIOSZCXCDBKPH-CSKARUKUSA-N
Compound name
(E)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.7
[M+Na]+ 347.12539 183.3
[M-H]- 323.12889 182.4
[M+NH4]+ 342.16999 191.0
[M+K]+ 363.09933 179.4
[M+H-H2O]+ 307.13343 170.7
[M+HCOO]- 369.13437 192.8
[M+CH3COO]- 383.15002 203.9
[M+Na-2H]- 345.11084 178.9
[M]+ 324.13562 177.3
[M]- 324.13672 177.3
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.