PubChemLite - Cadensin g (C24H20O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1O)OC)C2C(OC3=C(O2)C=CC4=C3OC5=CC(=CC(=C5C4=O)O)O)CO

InChI

InChI=1S/C24H20O10/c1-30-16-5-10(6-17(31-2)21(16)29)22-18(9-25)34-24-14(32-22)4-3-12-20(28)19-13(27)7-11(26)8-15(19)33-23(12)24/h3-8,18,22,25-27,29H,9H2,1-2H3

InChIKey

ZIXRDOIIRHBBIP-UHFFFAOYSA-N

Compound name

8,10-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-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]+	469.11293	209.4
[M+Na]+	491.09487	219.5
[M-H]-	467.09837	217.4
[M+NH4]+	486.13947	214.1
[M+K]+	507.06881	220.7
[M+H-H2O]+	451.10291	198.9
[M+HCOO]-	513.10385	219.7
[M+CH3COO]-	527.11950	218.1
[M+Na-2H]-	489.08032	213.8
[M]+	468.10510	218.9
[M]-	468.10620	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.11293

209.4

[M+Na]+

491.09487

219.5

[M-H]-

467.09837

217.4

[M+NH4]+

486.13947

214.1

[M+K]+

507.06881

220.7

[M+H-H2O]+

451.10291

198.9

[M+HCOO]-

513.10385

219.7

[M+CH3COO]-

527.11950

218.1

[M+Na-2H]-

489.08032

213.8

[M]+

468.10510

218.9

[M]-

468.10620

218.9

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

Cadensin g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe