PubChemLite - Tanariflavanone b (C30H34O6)

Structural Information

Molecular Formula

SMILES

CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C

InChI

InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1

InChIKey

URMUEILYNQBSDZ-SUHMBNCMSA-N

Compound name

(2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-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	224.1
[M+Na]+	513.22475	229.8
[M-H]-	489.22825	229.2
[M+NH4]+	508.26935	230.9
[M+K]+	529.19869	226.3
[M+H-H2O]+	473.23279	215.3
[M+HCOO]-	535.23373	230.6
[M+CH3COO]-	549.24938	241.4
[M+Na-2H]-	511.21020	220.7
[M]+	490.23498	226.3
[M]-	490.23608	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.24281

224.1

[M+Na]+

513.22475

229.8

[M-H]-

489.22825

229.2

[M+NH4]+

508.26935

230.9

[M+K]+

529.19869

226.3

[M+H-H2O]+

473.23279

215.3

[M+HCOO]-

535.23373

230.6

[M+CH3COO]-

549.24938

241.4

[M+Na-2H]-

511.21020

220.7

[M]+

490.23498

226.3

[M]-

490.23608

226.3

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

Tanariflavanone b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe