CID 493166

Dehydroconidrin

Structural Information

Molecular Formula
C20H16O6
SMILES
COC1=CC2=CC3=C(COC3=O)C(=C2C=C1O)C4=CC(=C(C=C4)O)CO
InChI
InChI=1S/C20H16O6/c1-25-18-6-11-5-14-15(9-26-20(14)24)19(13(11)7-17(18)23)10-2-3-16(22)12(4-10)8-21/h2-7,21-23H,8-9H2,1H3
InChIKey
CYUVEICCHKFMAU-UHFFFAOYSA-N
Compound name
7-hydroxy-9-[4-hydroxy-3-(hydroxymethyl)phenyl]-6-methoxy-1H-benzo[f][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.101976 178.7
[M+Na]+ 375.083918 188.7
[M-H]- 351.087424 185.4
[M+NH4]+ 370.128523 192.7
[M+K]+ 391.057858 184.9
[M+H-H2O]+ 335.091960 172.2
[M+HCOO]- 397.092901 195.4
[M+CH3COO]- 411.108551 189.9
[M+Na-2H]- 373.069366 181.0
[M]+ 352.09415142 182.8
[M]- 352.09524858 182.8
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.