CID 5464645

Chembl187876

Structural Information

Molecular Formula
C29H22O5
SMILES
C1=CC=C(C=C1)COC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H22O5/c30-23-16-25(22-14-8-3-9-15-22)34-26-17-24(31)28(32-18-20-10-4-1-5-11-20)29(27(23)26)33-19-21-12-6-2-7-13-21/h1-17,31H,18-19H2
InChIKey
MWPFOPYVFRHXRY-UHFFFAOYSA-N
Compound name
7-hydroxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

450.14673 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15401 211.0
[M+Na]+ 473.13595 218.2
[M-H]- 449.13945 223.7
[M+NH4]+ 468.18055 217.4
[M+K]+ 489.10989 213.3
[M+H-H2O]+ 433.14399 198.2
[M+HCOO]- 495.14493 230.1
[M+CH3COO]- 509.16058 219.7
[M+Na-2H]- 471.12140 214.7
[M]+ 450.14618 214.5
[M]- 450.14728 214.5
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

No patent data available for this compound.