PubChemLite - 3'-geranyl-2',4',6'-trihydroxychalcone (C25H28O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H28O4/c1-17(2)8-7-9-18(3)12-14-20-22(27)16-23(28)24(25(20)29)21(26)15-13-19-10-5-4-6-11-19/h4-6,8,10-13,15-16,27-29H,7,9,14H2,1-3H3/b15-13+,18-12+

InChIKey

ZQNDIDYSUDPHEU-DDSGDGAWSA-N

Compound name

(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-phenylprop-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]+	393.20604	197.8
[M+Na]+	415.18798	202.0
[M-H]-	391.19148	199.7
[M+NH4]+	410.23258	207.0
[M+K]+	431.16192	195.1
[M+H-H2O]+	375.19602	190.0
[M+HCOO]-	437.19696	212.4
[M+CH3COO]-	451.21261	218.4
[M+Na-2H]-	413.17343	192.3
[M]+	392.19821	197.5
[M]-	392.19931	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

393.20604

197.8

[M+Na]+

415.18798

202.0

[M-H]-

391.19148

199.7

[M+NH4]+

410.23258

207.0

[M+K]+

431.16192

195.1

[M+H-H2O]+

375.19602

190.0

[M+HCOO]-

437.19696

212.4

[M+CH3COO]-

451.21261

218.4

[M+Na-2H]-

413.17343

192.3

[M]+

392.19821

197.5

[M]-

392.19931

197.5

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

3'-geranyl-2',4',6'-trihydroxychalcone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe