PubChemLite - Exiguaflavanone g (C25H28O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C(=C)C)C

InChI

InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)7-16-17(27)10-20(30)24-21(31)11-22(32-25(16)24)23-18(28)8-15(26)9-19(23)29/h5,8-10,14,22,26-30H,3,6-7,11H2,1-2,4H3

InChIKey

OGLNLIXNHKHDEO-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-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	206.0
[M+Na]+	463.17272	210.9
[M-H]-	439.17622	207.6
[M+NH4]+	458.21732	211.8
[M+K]+	479.14666	207.3
[M+H-H2O]+	423.18076	198.7
[M+HCOO]-	485.18170	213.4
[M+CH3COO]-	499.19735	228.5
[M+Na-2H]-	461.15817	199.6
[M]+	440.18295	205.7
[M]-	440.18405	205.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.19078

206.0

[M+Na]+

463.17272

210.9

[M-H]-

439.17622

207.6

[M+NH4]+

458.21732

211.8

[M+K]+

479.14666

207.3

[M+H-H2O]+

423.18076

198.7

[M+HCOO]-

485.18170

213.4

[M+CH3COO]-

499.19735

228.5

[M+Na-2H]-

461.15817

199.6

[M]+

440.18295

205.7

[M]-

440.18405

205.7

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

Exiguaflavanone g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe