CID 5482155

3',4'-di-o-benzyl-3-o-methylquercetin

Structural Information

Molecular Formula

SMILES

COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H24O7/c1-34-30-28(33)27-23(32)15-22(31)16-26(27)37-29(30)21-12-13-24(35-17-19-8-4-2-5-9-19)25(14-21)36-18-20-10-6-3-7-11-20/h2-16,31-32H,17-18H2,1H3

InChIKey

KIIOHWNYIVUODO-UHFFFAOYSA-N

Compound name

2-[3,4-bis(phenylmethoxy)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 2
Patents: 496.1522 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	497.15948	221.5
[M+Na]+	519.14142	228.7
[M-H]-	495.14492	233.4
[M+NH4]+	514.18602	225.6
[M+K]+	535.11536	225.2
[M+H-H2O]+	479.14946	208.4
[M+HCOO]-	541.15040	238.9
[M+CH3COO]-	555.16605	229.3
[M+Na-2H]-	517.12687	223.3
[M]+	496.15165	227.3
[M]-	496.15275	227.3

Literature stripe

Patent stripe