PubChemLite - Volkensiflavone hexamethylether (C36H32O10)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3OC)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)OC)OC)OC

InChI

InChI=1S/C36H32O10/c1-39-21-11-7-19(8-12-21)25-17-24(37)30-27(43-5)18-28(44-6)32(36(30)45-25)33-34(38)31-26(42-4)15-23(41-3)16-29(31)46-35(33)20-9-13-22(40-2)14-10-20/h7-18,33,35H,1-6H3/t33-,35+/m0/s1

InChIKey

NOMJOYNVDMXYQK-QWOOXDRHSA-N

Compound name

8-[(2S,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dimethoxy-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]+	625.20678	256.7
[M+Na]+	647.18872	264.1
[M-H]-	623.19222	272.4
[M+NH4]+	642.23332	256.5
[M+K]+	663.16266	265.8
[M+H-H2O]+	607.19676	240.7
[M+HCOO]-	669.19770	270.2
[M+CH3COO]-	683.21335	271.3
[M+Na-2H]-	645.17417	254.4
[M]+	624.19895	269.1
[M]-	624.20005	269.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.20678

256.7

[M+Na]+

647.18872

264.1

[M-H]-

623.19222

272.4

[M+NH4]+

642.23332

256.5

[M+K]+

663.16266

265.8

[M+H-H2O]+

607.19676

240.7

[M+HCOO]-

669.19770

270.2

[M+CH3COO]-

683.21335

271.3

[M+Na-2H]-

645.17417

254.4

[M]+

624.19895

269.1

[M]-

624.20005

269.1

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

Volkensiflavone hexamethylether

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe