CID 3019323

83790-87-8

Structural Information

Molecular Formula

C₂₀H₂₀O₃

SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3

InChIKey

ZECBGDFBAKHQFF-UHFFFAOYSA-N

Compound name

(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 308.14124 Da
Monoisotopic Mass: 5.5
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]+	309.14852	173.2
[M+Na]+	331.13046	182.2
[M-H]-	307.13396	182.1
[M+NH4]+	326.17506	189.7
[M+K]+	347.10440	178.9
[M+H-H2O]+	291.13850	165.8
[M+HCOO]-	353.13944	196.4
[M+CH3COO]-	367.15509	206.8
[M+Na-2H]-	329.11591	176.7
[M]+	308.14069	180.0
[M]-	308.14179	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe