PubChemLite - Persiconin (C23H26O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O

InChI

InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3

InChIKey

NKYUUWHIEOUGKB-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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]+	479.15480	209.6
[M+Na]+	501.13674	214.3
[M-H]-	477.14024	215.2
[M+NH4]+	496.18134	212.0
[M+K]+	517.11068	215.4
[M+H-H2O]+	461.14478	199.9
[M+HCOO]-	523.14572	216.6
[M+CH3COO]-	537.16137	233.1
[M+Na-2H]-	499.12219	207.6
[M]+	478.14697	212.6
[M]-	478.14807	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.15480

209.6

[M+Na]+

501.13674

214.3

[M-H]-

477.14024

215.2

[M+NH4]+

496.18134

212.0

[M+K]+

517.11068

215.4

[M+H-H2O]+

461.14478

199.9

[M+HCOO]-

523.14572

216.6

[M+CH3COO]-

537.16137

233.1

[M+Na-2H]-

499.12219

207.6

[M]+

478.14697

212.6

[M]-

478.14807

212.6

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

Persiconin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe