PubChemLite - Dorsilurin a (C30H34O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1O)C2=CC(=O)C3=C(C(=C(C(=C3O2)CC=C(C)C)O)CC=C(C)C)O)O)C

InChI

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

InChIKey

VMALIMPRENWZRQ-UHFFFAOYSA-N

Compound name

2-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6,8-bis(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	223.1
[M+Na]+	513.22475	229.6
[M-H]-	489.22825	226.4
[M+NH4]+	508.26935	228.2
[M+K]+	529.19869	224.3
[M+H-H2O]+	473.23279	214.9
[M+HCOO]-	535.23373	233.1
[M+CH3COO]-	549.24938	241.3
[M+Na-2H]-	511.21020	215.4
[M]+	490.23498	227.1
[M]-	490.23608	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.24281

223.1

[M+Na]+

513.22475

229.6

[M-H]-

489.22825

226.4

[M+NH4]+

508.26935

228.2

[M+K]+

529.19869

224.3

[M+H-H2O]+

473.23279

214.9

[M+HCOO]-

535.23373

233.1

[M+CH3COO]-

549.24938

241.3

[M+Na-2H]-

511.21020

215.4

[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.

Dorsilurin a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe