CID 14376454

Lophirone e

Structural Information

Molecular Formula
C23H16O5
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)O
InChI
InChI=1S/C23H16O5/c24-17-5-3-15(4-6-17)23-12-16-11-14(2-10-22(16)28-23)1-9-20(26)19-8-7-18(25)13-21(19)27/h1-13,24-25,27H/b9-1+
InChIKey
ASHHFRLYDYFCHN-XLUWADSXSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[2-(4-hydroxyphenyl)-1-benzofuran-5-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

372.09976 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10704 186.8
[M+Na]+ 395.08898 195.9
[M-H]- 371.09248 195.7
[M+NH4]+ 390.13358 198.2
[M+K]+ 411.06292 190.5
[M+H-H2O]+ 355.09702 179.0
[M+HCOO]- 417.09796 206.0
[M+CH3COO]- 431.11361 197.4
[M+Na-2H]- 393.07443 188.4
[M]+ 372.09921 189.5
[M]- 372.10031 189.5
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