CID 42607816

Lophirone j

Structural Information

Molecular Formula
C25H20O5
SMILES
COC1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)[C@@H]4CC(=O)C5=C(O4)C=C(C=C5)OC
InChI
InChI=1S/C25H20O5/c1-27-18-6-3-15(4-7-18)23-12-17-11-16(5-10-22(17)29-23)24-14-21(26)20-9-8-19(28-2)13-25(20)30-24/h3-13,24H,14H2,1-2H3/t24-/m0/s1
InChIKey
GIIGHMRSPFEORX-DEOSSOPVSA-N
Compound name
(2S)-7-methoxy-2-[2-(4-methoxyphenyl)-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.13835 195.1
[M+Na]+ 423.12029 205.0
[M-H]- 399.12379 208.8
[M+NH4]+ 418.16489 207.0
[M+K]+ 439.09423 202.4
[M+H-H2O]+ 383.12833 185.9
[M+HCOO]- 445.12927 214.6
[M+CH3COO]- 459.14492 206.6
[M+Na-2H]- 421.10574 198.2
[M]+ 400.13052 201.7
[M]- 400.13162 201.7
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.