PubChemLite - 3',4'-di-hydroxyphenyl-3-o-methylquercetin deriv (C34H26O14)

Structural Information

Molecular Formula

SMILES

COC1=C(OC2=CC(=CC(=C2C1=O)O)OCCOC3=CC(=C4C(=C3)OC(=C(C4=O)OC)C5=CC(=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O

InChI

InChI=1S/C34H26O14/c1-43-33-29(41)27-23(39)11-17(13-25(27)47-31(33)15-3-5-19(35)21(37)9-15)45-7-8-46-18-12-24(40)28-26(14-18)48-32(34(44-2)30(28)42)16-4-6-20(36)22(38)10-16/h3-6,9-14,35-40H,7-8H2,1-2H3

InChIKey

MLAPYXXJMDSRAZ-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-7-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxochromen-7-yl]oxyethoxy]-5-hydroxy-3-methoxychromen-4-one

Related CIDs

2D Structure

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]+	659.13954	247.2
[M+Na]+	681.12148	256.8
[M-H]-	657.12498	247.7
[M+NH4]+	676.16608	251.6
[M+K]+	697.09542	245.8
[M+H-H2O]+	641.12952	237.0
[M+HCOO]-	703.13046	253.2
[M+CH3COO]-	717.14611	256.9
[M+Na-2H]-	679.10693	267.7
[M]+	658.13171	270.5
[M]-	658.13281	270.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

659.13954

247.2

[M+Na]+

681.12148

256.8

[M-H]-

657.12498

247.7

[M+NH4]+

676.16608

251.6

[M+K]+

697.09542

245.8

[M+H-H2O]+

641.12952

237.0

[M+HCOO]-

703.13046

253.2

[M+CH3COO]-

717.14611

256.9

[M+Na-2H]-

679.10693

267.7

[M]+

658.13171

270.5

[M]-

658.13281

270.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3',4'-di-hydroxyphenyl-3-o-methylquercetin deriv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe