Euchrenone a9 (C25H26O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=C(C=C(C=C4)O)O)O)C

InChI

InChI=1S/C25H26O6/c1-13(2)5-7-16-22(29)21-19(28)12-20(15-8-6-14(26)11-18(15)27)30-24(21)17-9-10-25(3,4)31-23(16)17/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3

InChIKey

WUVGXZKCQBMDDK-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-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]+	423.180216	203.3
[M+Na]+	445.162158	211.4
[M-H]-	421.165664	209.5
[M+NH4]+	440.206763	213.2
[M+K]+	461.136098	208.7
[M+H-H2O]+	405.170200	195.1
[M+HCOO]-	467.171141	212.5
[M+CH3COO]-	481.186791	227.1
[M+Na-2H]-	443.147606	203.6
[M]+	422.17239142	205.4
[M]-	422.17348858	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.180216

203.3

[M+Na]+

445.162158

211.4

[M-H]-

421.165664

209.5

[M+NH4]+

440.206763

213.2

[M+K]+

461.136098

208.7

[M+H-H2O]+

405.170200

195.1

[M+HCOO]-

467.171141

212.5

[M+CH3COO]-

481.186791

227.1

[M+Na-2H]-

443.147606

203.6

[M]+

422.17239142

205.4

[M]-

422.17348858

205.4

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

Euchrenone a9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe