PubChemLite - Abyssinoflavanone vi (C25H28O7)

Structural Information

Molecular Formula

SMILES

CC1(CCC2=CC(=C3CC(C(OC3=C2O1)(C)C)O)C4CC(=O)C5=C(C=C(C=C5O4)O)O)C

InChI

InChI=1S/C25H28O7/c1-24(2)6-5-12-7-14(15-10-20(29)25(3,4)32-23(15)22(12)31-24)18-11-17(28)21-16(27)8-13(26)9-19(21)30-18/h7-9,18,20,26-27,29H,5-6,10-11H2,1-4H3

InChIKey

ZAGCAZVMJBNNSU-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(3-hydroxy-2,2,9,9-tetramethyl-3,4,7,8-tetrahydropyrano[3,2-h]chromen-5-yl)-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]+	441.19078	206.3
[M+Na]+	463.17272	214.6
[M-H]-	439.17622	213.6
[M+NH4]+	458.21732	216.9
[M+K]+	479.14666	214.1
[M+H-H2O]+	423.18076	197.1
[M+HCOO]-	485.18170	210.4
[M+CH3COO]-	499.19735	214.1
[M+Na-2H]-	461.15817	208.9
[M]+	440.18295	207.4
[M]-	440.18405	207.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.19078

206.3

[M+Na]+

463.17272

214.6

[M-H]-

439.17622

213.6

[M+NH4]+

458.21732

216.9

[M+K]+

479.14666

214.1

[M+H-H2O]+

423.18076

197.1

[M+HCOO]-

485.18170

210.4

[M+CH3COO]-

499.19735

214.1

[M+Na-2H]-

461.15817

208.9

[M]+

440.18295

207.4

[M]-

440.18405

207.4

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

Abyssinoflavanone vi

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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