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]+ 353.10198 178.7
[M+Na]+ 375.08392 188.7
[M-H]- 351.08742 185.4
[M+NH4]+ 370.12852 192.7
[M+K]+ 391.05786 184.9
[M+H-H2O]+ 335.09196 172.2
[M+HCOO]- 397.09290 195.4
[M+CH3COO]- 411.10855 189.9
[M+Na-2H]- 373.06937 181.0
[M]+ 352.09415 182.8
[M]- 352.09525 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.