CID 6481171

5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one

Structural Information

Molecular Formula

C₂₁H₂₀O₄

SMILES

CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC)C

InChI

InChI=1S/C21H20O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-9,11-12,23H,10H2,1-3H3

InChIKey

NSNSODUFDTYUCD-UHFFFAOYSA-N

Compound name

5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 336.13617 Da
Monoisotopic Mass: 5.3
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]+	337.143446	179.3
[M+Na]+	359.125388	188.4
[M-H]-	335.128894	187.0
[M+NH4]+	354.169993	192.4
[M+K]+	375.099328	184.6
[M+H-H2O]+	319.133430	171.0
[M+HCOO]-	381.134371	198.6
[M+CH3COO]-	395.150021	211.4
[M+Na-2H]-	357.110836	182.3
[M]+	336.13562142	183.9
[M]-	336.13671858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.