CID 14376455

Lophirone d

Structural Information

Molecular Formula
C24H16O6
SMILES
C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)C=O)O
InChI
InChI=1S/C24H16O6/c25-13-20-19-11-14(1-9-21(28)18-8-7-17(27)12-22(18)29)2-10-23(19)30-24(20)15-3-5-16(26)6-4-15/h1-13,26-27,29H/b9-1+
InChIKey
QTLOYOSKGRNTNQ-XLUWADSXSA-N
Compound name
5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0947 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10198 193.4
[M+Na]+ 423.08392 202.8
[M-H]- 399.08742 202.5
[M+NH4]+ 418.12852 203.7
[M+K]+ 439.05786 197.6
[M+H-H2O]+ 383.09196 185.4
[M+HCOO]- 445.09290 212.5
[M+CH3COO]- 459.10855 217.0
[M+Na-2H]- 421.06937 194.0
[M]+ 400.09415 197.5
[M]- 400.09525 197.5
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.