PubChemLite - C25h26o7 (C25H26O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)C[C@@H](C(O2)(C)C)O)C

InChI

InChI=1S/C25H26O7/c1-12(2)5-7-15-21(29)20-22(30)17(14-8-6-13(26)9-18(14)27)11-31-24(20)16-10-19(28)25(3,4)32-23(15)16/h5-6,8-9,11,19,26-29H,7,10H2,1-4H3/t19-/m0/s1

InChIKey

VQBGDCHSWUNTQC-IBGZPJMESA-N

Compound name

(9S)-3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]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]+	439.17513	206.6
[M+Na]+	461.15707	215.6
[M-H]-	437.16057	212.1
[M+NH4]+	456.20167	215.4
[M+K]+	477.13101	213.2
[M+H-H2O]+	421.16511	198.4
[M+HCOO]-	483.16605	215.7
[M+CH3COO]-	497.18170	228.8
[M+Na-2H]-	459.14252	206.9
[M]+	438.16730	210.3
[M]-	438.16840	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.17513

206.6

[M+Na]+

461.15707

215.6

[M-H]-

437.16057

212.1

[M+NH4]+

456.20167

215.4

[M+K]+

477.13101

213.2

[M+H-H2O]+

421.16511

198.4

[M+HCOO]-

483.16605

215.7

[M+CH3COO]-

497.18170

228.8

[M+Na-2H]-

459.14252

206.9

[M]+

438.16730

210.3

[M]-

438.16840

210.3

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

C25h26o7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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