CID 978389

7-((4-methoxybenzyl)oxy)-8-methyl-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula

C₂₄H₂₀O₄

SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H20O4/c1-16-22(27-15-17-8-10-19(26-2)11-9-17)13-12-20-21(14-23(25)28-24(16)20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3

InChIKey

SDZMCUYENKTNDE-UHFFFAOYSA-N

Compound name

7-[(4-methoxyphenyl)methoxy]-8-methyl-4-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.13617 Da
Monoisotopic Mass: 4.9
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]+	373.143446	190.0
[M+Na]+	395.125388	199.3
[M-H]-	371.128894	201.8
[M+NH4]+	390.169993	201.5
[M+K]+	411.099328	195.4
[M+H-H2O]+	355.133430	179.3
[M+HCOO]-	417.134371	211.6
[M+CH3COO]-	431.150021	201.4
[M+Na-2H]-	393.110836	194.8
[M]+	372.13562142	195.6
[M]-	372.13671858	195.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.