PubChemLite - 3'-geranylchalconaringenin (C25H28O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+

InChIKey

GVXVZXDPRNGAOE-ZCFXJLACSA-N

Compound name

(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-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]+	409.20094	202.5
[M+Na]+	431.18288	212.5
[M+NH4]+	426.22748	205.5
[M+K]+	447.15682	207.3
[M-H]-	407.18638	202.3
[M+Na-2H]-	429.16833	204.0
[M]+	408.19311	203.4
[M]-	408.19421	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.20094

202.5

[M+Na]+

431.18288

212.5

[M+NH4]+

426.22748

205.5

[M+K]+

447.15682

207.3

[M-H]-

407.18638

202.3

[M+Na-2H]-

429.16833

204.0

[M]+

408.19311

203.4

[M]-

408.19421

203.4

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

3'-geranylchalconaringenin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe