PubChemLite - Robustaflavone hexamethyl ether (C36H34O10)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)C4=C(C=CC(=C4)C5CC(=O)C6=C(O5)C=C(C=C6OC)OC)OC)OC

InChI

InChI=1S/C36H34O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-32(45-27)18-30(43-5)33(36(35)44-6)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-31(34)46-28/h7-15,18,27-28H,16-17H2,1-6H3

InChIKey

SKICWYPFIHNFRJ-UHFFFAOYSA-N

Compound name

6-[5-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-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]+	627.22248	256.0
[M+Na]+	649.20442	261.6
[M-H]-	625.20792	270.9
[M+NH4]+	644.24902	255.5
[M+K]+	665.17836	263.4
[M+H-H2O]+	609.21246	240.3
[M+HCOO]-	671.21340	266.9
[M+CH3COO]-	685.22905	272.2
[M+Na-2H]-	647.18987	252.2
[M]+	626.21465	265.8
[M]-	626.21575	265.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.22248

256.0

[M+Na]+

649.20442

261.6

[M-H]-

625.20792

270.9

[M+NH4]+

644.24902

255.5

[M+K]+

665.17836

263.4

[M+H-H2O]+

609.21246

240.3

[M+HCOO]-

671.21340

266.9

[M+CH3COO]-

685.22905

272.2

[M+Na-2H]-

647.18987

252.2

[M]+

626.21465

265.8

[M]-

626.21575

265.8

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

Robustaflavone hexamethyl ether

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe