PubChemLite - 8-[5-(5,7-dihydroxychroman-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (C31H24O9)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5CCC6=C(C=C(C=C6O5)O)O)O

InChI

InChI=1S/C31H24O9/c1-38-18-5-2-15(3-6-18)27-14-25(37)30-24(36)13-23(35)29(31(30)40-27)20-10-16(4-8-21(20)33)26-9-7-19-22(34)11-17(32)12-28(19)39-26/h2-6,8,10-14,26,32-36H,7,9H2,1H3

InChIKey

VOXGQCOXXKBHJD-UHFFFAOYSA-N

Compound name

8-[5-(5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-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]+	541.14928	231.2
[M+Na]+	563.13122	238.4
[M-H]-	539.13472	241.6
[M+NH4]+	558.17582	231.5
[M+K]+	579.10516	237.1
[M+H-H2O]+	523.13926	218.4
[M+HCOO]-	585.14020	239.5
[M+CH3COO]-	599.15585	237.0
[M+Na-2H]-	561.11667	230.7
[M]+	540.14145	233.9
[M]-	540.14255	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.14928

231.2

[M+Na]+

563.13122

238.4

[M-H]-

539.13472

241.6

[M+NH4]+

558.17582

231.5

[M+K]+

579.10516

237.1

[M+H-H2O]+

523.13926

218.4

[M+HCOO]-

585.14020

239.5

[M+CH3COO]-

599.15585

237.0

[M+Na-2H]-

561.11667

230.7

[M]+

540.14145

233.9

[M]-

540.14255

233.9

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

8-[5-(5,7-dihydroxychroman-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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