PubChemLite - 7,3'-di-o-methylisoorientin (C23H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)C4C(C(C(C(O4)CO)O)O)O)O)O

InChI

InChI=1S/C23H24O11/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-15(33-12)7-14(32-2)18(20(17)28)23-22(30)21(29)19(27)16(8-24)34-23/h3-7,16,19,21-25,27-30H,8H2,1-2H3

InChIKey

JCIFZANQIXZLGH-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-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]+	477.13915	211.0
[M+Na]+	499.12109	223.0
[M+NH4]+	494.16569	213.2
[M+K]+	515.09503	221.2
[M-H]-	475.12459	215.1
[M+Na-2H]-	497.10654	210.9
[M]+	476.13132	213.5
[M]-	476.13242	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.13915

211.0

[M+Na]+

499.12109

223.0

[M+NH4]+

494.16569

213.2

[M+K]+

515.09503

221.2

[M-H]-

475.12459

215.1

[M+Na-2H]-

497.10654

210.9

[M]+

476.13132

213.5

[M]-

476.13242

213.5

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

7,3'-di-o-methylisoorientin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe