CID 5315395

Yinyanghuo c

Structural Information

Molecular Formula

C₂₀H₁₆O₅

SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C

InChI

InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-10,21-22H,1-2H3

InChIKey

GPXYBBZISZKRAH-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 336.09976 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

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]+	337.10704	177.2
[M+Na]+	359.08898	188.6
[M-H]-	335.09248	185.9
[M+NH4]+	354.13358	191.3
[M+K]+	375.06292	186.1
[M+H-H2O]+	319.09702	168.8
[M+HCOO]-	381.09796	193.5
[M+CH3COO]-	395.11361	189.1
[M+Na-2H]-	357.07443	184.5
[M]+	336.09921	181.3
[M]-	336.10031	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe