PubChemLite - Hinokiflavone (C30H18O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

InChI

InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H

InChIKey

WTDHMFBJQJSTMH-UHFFFAOYSA-N

Compound name

6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)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]+	539.09728	230.2
[M+Na]+	561.07922	250.0
[M+NH4]+	556.12382	234.6
[M+K]+	577.05316	243.1
[M-H]-	537.08272	240.0
[M+Na-2H]-	559.06467	237.2
[M]+	538.08945	236.1
[M]-	538.09055	236.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.09728

230.2

[M+Na]+

561.07922

250.0

[M+NH4]+

556.12382

234.6

[M+K]+

577.05316

243.1

[M-H]-

537.08272

240.0

[M+Na-2H]-

559.06467

237.2

[M]+

538.08945

236.1

[M]-

538.09055

236.1

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

Hinokiflavone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe