PubChemLite - Putraflavone (C32H22O10)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O

InChI

InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33-36H,1-2H3

InChIKey

GZTVUTQZSAZUIY-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)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]+	567.12858	239.4
[M+Na]+	589.11052	249.6
[M-H]-	565.11402	252.3
[M+NH4]+	584.15512	239.4
[M+K]+	605.08446	249.4
[M+H-H2O]+	549.11856	225.2
[M+HCOO]-	611.11950	252.6
[M+CH3COO]-	625.13515	246.5
[M+Na-2H]-	587.09597	240.3
[M]+	566.12075	248.6
[M]-	566.12185	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.12858

239.4

[M+Na]+

589.11052

249.6

[M-H]-

565.11402

252.3

[M+NH4]+

584.15512

239.4

[M+K]+

605.08446

249.4

[M+H-H2O]+

549.11856

225.2

[M+HCOO]-

611.11950

252.6

[M+CH3COO]-

625.13515

246.5

[M+Na-2H]-

587.09597

240.3

[M]+

566.12075

248.6

[M]-

566.12185

248.6

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

Putraflavone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe