PubChemLite - Kuraridin (C26H30O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+

InChIKey

PIAPWPAWQGDOMN-PKNBQFBNSA-N

Compound name

(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)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]+	439.21150	205.7
[M+Na]+	461.19344	209.9
[M-H]-	437.19694	206.8
[M+NH4]+	456.23804	212.5
[M+K]+	477.16738	204.8
[M+H-H2O]+	421.20148	198.2
[M+HCOO]-	483.20242	217.7
[M+CH3COO]-	497.21807	228.1
[M+Na-2H]-	459.17889	197.2
[M]+	438.20367	207.2
[M]-	438.20477	207.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.21150

205.7

[M+Na]+

461.19344

209.9

[M-H]-

437.19694

206.8

[M+NH4]+

456.23804

212.5

[M+K]+

477.16738

204.8

[M+H-H2O]+

421.20148

198.2

[M+HCOO]-

483.20242

217.7

[M+CH3COO]-

497.21807

228.1

[M+Na-2H]-

459.17889

197.2

[M]+

438.20367

207.2

[M]-

438.20477

207.2

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

Kuraridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe