PubChemLite - Lupinisoflavone g (C25H26O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1)C2=COC3=CC4=C(CC(O4)C(C)(C)O)C(=C3C2=O)O)O)C

InChI

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

InChIKey

STWKZOLIYPDQRJ-UHFFFAOYSA-N

Compound name

4-hydroxy-6-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-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]+	423.18022	202.8
[M+Na]+	445.16216	210.8
[M-H]-	421.16566	209.6
[M+NH4]+	440.20676	212.6
[M+K]+	461.13610	207.9
[M+H-H2O]+	405.17020	196.6
[M+HCOO]-	467.17114	214.2
[M+CH3COO]-	481.18679	225.4
[M+Na-2H]-	443.14761	203.1
[M]+	422.17239	207.2
[M]-	422.17349	207.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.18022

202.8

[M+Na]+

445.16216

210.8

[M-H]-

421.16566

209.6

[M+NH4]+

440.20676

212.6

[M+K]+

461.13610

207.9

[M+H-H2O]+

405.17020

196.6

[M+HCOO]-

467.17114

214.2

[M+CH3COO]-

481.18679

225.4

[M+Na-2H]-

443.14761

203.1

[M]+

422.17239

207.2

[M]-

422.17349

207.2

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

Lupinisoflavone g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe