PubChemLite - Leachianone d (C26H30O7)

Structural Information

Molecular Formula

SMILES

CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)/C=C/C(C)(C)O

InChI

InChI=1S/C26H30O7/c1-14(2)15(8-9-26(3,4)31)10-18-19(28)12-20(29)24-21(30)13-23(33-25(18)24)17-7-6-16(27)11-22(17)32-5/h6-9,11-12,15,23,27-29,31H,1,10,13H2,2-5H3/b9-8+

InChIKey

OUUMDNLSQJEMRV-CMDGGOBGSA-N

Compound name

5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(E)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhex-3-enyl]-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]+	455.20644	209.4
[M+Na]+	477.18838	214.0
[M-H]-	453.19188	212.0
[M+NH4]+	472.23298	215.2
[M+K]+	493.16232	210.9
[M+H-H2O]+	437.19642	201.9
[M+HCOO]-	499.19736	217.4
[M+CH3COO]-	513.21301	231.2
[M+Na-2H]-	475.17383	206.2
[M]+	454.19861	210.9
[M]-	454.19971	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.20644

209.4

[M+Na]+

477.18838

214.0

[M-H]-

453.19188

212.0

[M+NH4]+

472.23298

215.2

[M+K]+

493.16232

210.9

[M+H-H2O]+

437.19642

201.9

[M+HCOO]-

499.19736

217.4

[M+CH3COO]-

513.21301

231.2

[M+Na-2H]-

475.17383

206.2

[M]+

454.19861

210.9

[M]-

454.19971

210.9

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

Leachianone d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe