PubChemLite - Kushenol d (C27H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)OC)O)C(=C)C)C

InChI

InChI=1S/C27H32O6/c1-16(2)7-8-19(17(3)4)13-21-23(30)15-25(33-6)26(27(21)31)22(29)12-10-18-9-11-20(28)14-24(18)32-5/h7,9-12,14-15,19,28,30-31H,3,8,13H2,1-2,4-6H3/b12-10+

InChIKey

LZSUTCMOKIJOBI-ZRDIBKRKSA-N

Compound name

(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-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]+	453.22716	209.6
[M+Na]+	475.20910	213.8
[M-H]-	451.21260	211.9
[M+NH4]+	470.25370	216.5
[M+K]+	491.18304	209.2
[M+H-H2O]+	435.21714	201.6
[M+HCOO]-	497.21808	222.8
[M+CH3COO]-	511.23373	233.0
[M+Na-2H]-	473.19455	201.1
[M]+	452.21933	213.2
[M]-	452.22043	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.22716

209.6

[M+Na]+

475.20910

213.8

[M-H]-

451.21260

211.9

[M+NH4]+

470.25370

216.5

[M+K]+

491.18304

209.2

[M+H-H2O]+

435.21714

201.6

[M+HCOO]-

497.21808

222.8

[M+CH3COO]-

511.23373

233.0

[M+Na-2H]-

473.19455

201.1

[M]+

452.21933

213.2

[M]-

452.22043

213.2

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

Kushenol d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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