PubChemLite - Lespedezaflavanone f (C27H32O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC(=C(C=C3)OC)CC=C(C)C)O)CC=C(C)C)O

InChI

InChI=1S/C27H32O5/c1-15(2)7-9-18-13-19(10-12-22(18)31-6)23-14-21(28)24-26(30)20(11-8-16(3)4)25(29)17(5)27(24)32-23/h7-8,10,12-13,23,29-30H,9,11,14H2,1-6H3

InChIKey

WGAIGQOQWHEZHO-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-8-methyl-6-(3-methylbut-2-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]+	437.23226	209.0
[M+Na]+	459.21420	215.4
[M-H]-	435.21770	214.4
[M+NH4]+	454.25880	217.6
[M+K]+	475.18814	211.0
[M+H-H2O]+	419.22224	200.8
[M+HCOO]-	481.22318	221.0
[M+CH3COO]-	495.23883	233.7
[M+Na-2H]-	457.19965	203.6
[M]+	436.22443	212.3
[M]-	436.22553	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.23226

209.0

[M+Na]+

459.21420

215.4

[M-H]-

435.21770

214.4

[M+NH4]+

454.25880

217.6

[M+K]+

475.18814

211.0

[M+H-H2O]+

419.22224

200.8

[M+HCOO]-

481.22318

221.0

[M+CH3COO]-

495.23883

233.7

[M+Na-2H]-

457.19965

203.6

[M]+

436.22443

212.3

[M]-

436.22553

212.3

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

Lespedezaflavanone f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe