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

3
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

patents stripe