CID 42607815

Lophirone i

Structural Information

Molecular Formula
C23H16O5
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC4=C(C=C3)OC(=C4)C5=CC=C(C=C5)O
InChI
InChI=1S/C23H16O5/c24-16-4-1-13(2-5-16)21-10-15-9-14(3-8-20(15)27-21)22-12-19(26)18-7-6-17(25)11-23(18)28-22/h1-11,22,24-25H,12H2/t22-/m0/s1
InChIKey
FKAOXSDPCYTXNP-QFIPXVFZSA-N
Compound name
(2S)-7-hydroxy-2-[2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09976 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10704 185.1
[M+Na]+ 395.08898 195.1
[M-H]- 371.09248 196.7
[M+NH4]+ 390.13358 196.9
[M+K]+ 411.06292 191.4
[M+H-H2O]+ 355.09702 177.1
[M+HCOO]- 417.09796 202.4
[M+CH3COO]- 431.11361 196.4
[M+Na-2H]- 393.07443 188.8
[M]+ 372.09921 187.9
[M]- 372.10031 187.9
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.