PubChemLite - Chebi:131792 (C23H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](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/t16-,19-,21+,22-,23+/m1/s1

InChIKey

JCIFZANQIXZLGH-QJLVSEQISA-N

Compound name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-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	210.6
[M+Na]+	499.12109	217.4
[M-H]-	475.12459	216.1
[M+NH4]+	494.16569	212.8
[M+K]+	515.09503	218.0
[M+H-H2O]+	459.12913	200.8
[M+HCOO]-	521.13007	218.7
[M+CH3COO]-	535.14572	232.4
[M+Na-2H]-	497.10654	208.8
[M]+	476.13132	215.1
[M]-	476.13242	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.13915

210.6

[M+Na]+

499.12109

217.4

[M-H]-

475.12459

216.1

[M+NH4]+

494.16569

212.8

[M+K]+

515.09503

218.0

[M+H-H2O]+

459.12913

200.8

[M+HCOO]-

521.13007

218.7

[M+CH3COO]-

535.14572

232.4

[M+Na-2H]-

497.10654

208.8

[M]+

476.13132

215.1

[M]-

476.13242

215.1

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

Chebi:131792

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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