PubChemLite - 2'-o-methylcajanone (C26H28O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)C

InChI

InChI=1S/C26H28O6/c1-14(2)6-7-15-10-17(20(30-5)11-19(15)27)18-13-31-22-12-21-16(8-9-26(3,4)32-21)24(28)23(22)25(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3

InChIKey

REBVXJPVOISSEO-UHFFFAOYSA-N

Compound name

5-hydroxy-7-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-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]+	437.19588	205.7
[M+Na]+	459.17782	219.8
[M+NH4]+	454.22242	213.0
[M+K]+	475.15176	211.6
[M-H]-	435.18132	211.7
[M+Na-2H]-	457.16327	208.8
[M]+	436.18805	209.6
[M]-	436.18915	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.19588

205.7

[M+Na]+

459.17782

219.8

[M+NH4]+

454.22242

213.0

[M+K]+

475.15176

211.6

[M-H]-

435.18132

211.7

[M+Na-2H]-

457.16327

208.8

[M]+

436.18805

209.6

[M]-

436.18915

209.6

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

2'-o-methylcajanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe