CID 490069

(2e)-4-benzyl-6-hydroxy-2-[hydroxy(phenyl)methylene]benzofuran-3-one

Structural Information

Molecular Formula
C22H16O4
SMILES
C1=CC=C(C=C1)CC2=C3C(=CC(=C2)O)OC(=C3O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16O4/c23-17-12-16(11-14-7-3-1-4-8-14)19-18(13-17)26-22(21(19)25)20(24)15-9-5-2-6-10-15/h1-10,12-13,23,25H,11H2
InChIKey
OFHONAOVFQKPII-UHFFFAOYSA-N
Compound name
(4-benzyl-3,6-dihydroxy-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.10486 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11214 179.7
[M+Na]+ 367.09408 188.8
[M-H]- 343.09758 189.7
[M+NH4]+ 362.13868 192.8
[M+K]+ 383.06802 184.0
[M+H-H2O]+ 327.10212 171.8
[M+HCOO]- 389.10306 200.5
[M+CH3COO]- 403.11871 191.3
[M+Na-2H]- 365.07953 182.9
[M]+ 344.10431 182.8
[M]- 344.10541 182.8
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.