PubChemLite - 7-o-methyllicoricidin (C27H34O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O)C

InChI

InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3

InChIKey

GDAAEAXMNLVRCZ-UHFFFAOYSA-N

Compound name

4-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

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]+	439.24791	210.3
[M+Na]+	461.22985	222.6
[M+NH4]+	456.27445	215.5
[M+K]+	477.20379	216.0
[M-H]-	437.23335	214.1
[M+Na-2H]-	459.21530	211.9
[M]+	438.24008	213.1
[M]-	438.24118	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.24791

210.3

[M+Na]+

461.22985

222.6

[M+NH4]+

456.27445

215.5

[M+K]+

477.20379

216.0

[M-H]-

437.23335

214.1

[M+Na-2H]-

459.21530

211.9

[M]+

438.24008

213.1

[M]-

438.24118

213.1

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

7-o-methyllicoricidin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe