PubChemLite - 2',4',6',3,4-pentahydroxy-3'-geranyl-5-prenyldihydrochalcone (C30H38O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)CCC2=CC(=C(C(=C2)O)O)CC=C(C)C)O)/C)C

InChI

InChI=1S/C30H38O6/c1-18(2)7-6-8-20(5)10-13-23-25(32)17-26(33)28(30(23)36)24(31)14-11-21-15-22(12-9-19(3)4)29(35)27(34)16-21/h7,9-10,15-17,32-36H,6,8,11-14H2,1-5H3/b20-10+

InChIKey

ZCEVYOUGVBIIAG-KEBDBYFISA-N

Compound name

3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]propan-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]+	495.27413	223.2
[M+Na]+	517.25607	226.1
[M-H]-	493.25957	222.6
[M+NH4]+	512.30067	227.4
[M+K]+	533.23001	219.8
[M+H-H2O]+	477.26411	215.5
[M+HCOO]-	539.26505	232.3
[M+CH3COO]-	553.28070	238.6
[M+Na-2H]-	515.24152	211.6
[M]+	494.26630	224.6
[M]-	494.26740	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.27413

223.2

[M+Na]+

517.25607

226.1

[M-H]-

493.25957

222.6

[M+NH4]+

512.30067

227.4

[M+K]+

533.23001

219.8

[M+H-H2O]+

477.26411

215.5

[M+HCOO]-

539.26505

232.3

[M+CH3COO]-

553.28070

238.6

[M+Na-2H]-

515.24152

211.6

[M]+

494.26630

224.6

[M]-

494.26740

224.6

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

2',4',6',3,4-pentahydroxy-3'-geranyl-5-prenyldihydrochalcone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe