CID 3693845

Durlettone

Structural Information

Molecular Formula

C₂₁H₂₀O₄

SMILES

CC(=CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC)C

InChI

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

InChIKey

HVGQBDGAJOAKIO-UHFFFAOYSA-N

Compound name

7-methoxy-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 336.13617 Da
Monoisotopic Mass: 4.6
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	179.2
[M+Na]+	359.125388	187.9
[M-H]-	335.128894	187.8
[M+NH4]+	354.169993	192.7
[M+K]+	375.099328	184.8
[M+H-H2O]+	319.133430	170.4
[M+HCOO]-	381.134371	200.1
[M+CH3COO]-	395.150021	212.5
[M+Na-2H]-	357.110836	183.2
[M]+	336.13562142	185.1
[M]-	336.13671858	185.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.