PubChemLite - Kushenol f (C25H28O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C(=C)C)C

InChI

InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-23-24(25(18)30)21(29)12-22(31-23)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,22,26-28,30H,3,6,9,12H2,1-2,4H3

InChIKey

SUPRHWQIFJRUCQ-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(5-methyl-2-prop-1-en-2-ylhex-4-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]+	425.19588	203.0
[M+Na]+	447.17782	207.9
[M-H]-	423.18132	205.7
[M+NH4]+	442.22242	210.2
[M+K]+	463.15176	203.9
[M+H-H2O]+	407.18586	195.5
[M+HCOO]-	469.18680	211.9
[M+CH3COO]-	483.20245	226.4
[M+Na-2H]-	445.16327	197.6
[M]+	424.18805	202.7
[M]-	424.18915	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.19588

203.0

[M+Na]+

447.17782

207.9

[M-H]-

423.18132

205.7

[M+NH4]+

442.22242

210.2

[M+K]+

463.15176

203.9

[M+H-H2O]+

407.18586

195.5

[M+HCOO]-

469.18680

211.9

[M+CH3COO]-

483.20245

226.4

[M+Na-2H]-

445.16327

197.6

[M]+

424.18805

202.7

[M]-

424.18915

202.7

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

Kushenol f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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