PubChemLite - Artocommunol cd (C30H34O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)/C)C

InChI

InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-28(35)27-26(34)16-25(33)22(12-9-18(3)4)30(27)36-29(23)21-14-11-20(31)15-24(21)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+

InChIKey

JIYLDFRPPGXCML-VXLYETTFSA-N

Compound name

2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-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]+	491.24281	223.6
[M+Na]+	513.22475	229.2
[M-H]-	489.22825	226.5
[M+NH4]+	508.26935	228.4
[M+K]+	529.19869	223.7
[M+H-H2O]+	473.23279	215.1
[M+HCOO]-	535.23373	233.6
[M+CH3COO]-	549.24938	239.8
[M+Na-2H]-	511.21020	216.5
[M]+	490.23498	227.1
[M]-	490.23608	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.24281

223.6

[M+Na]+

513.22475

229.2

[M-H]-

489.22825

226.5

[M+NH4]+

508.26935

228.4

[M+K]+

529.19869

223.7

[M+H-H2O]+

473.23279

215.1

[M+HCOO]-

535.23373

233.6

[M+CH3COO]-

549.24938

239.8

[M+Na-2H]-

511.21020

216.5

[M]+

490.23498

227.1

[M]-

490.23608

227.1

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

Artocommunol cd

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe