CID 65811

Inicarone

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC(C)C1=C(C2=CC=CC=C2O1)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H15NO2/c1-11(2)17-15(13-5-3-4-6-14(13)20-17)16(19)12-7-9-18-10-8-12/h3-11H,1-2H3

InChIKey

FMDGBNOKORNXFS-UHFFFAOYSA-N

Compound name

(2-propan-2-yl-1-benzofuran-3-yl)-pyridin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 55
Patents: 265.1103 Da
Monoisotopic Mass: 3.8
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]+	266.117576	160.3
[M+Na]+	288.099518	169.5
[M-H]-	264.103024	168.0
[M+NH4]+	283.144123	176.9
[M+K]+	304.073458	166.6
[M+H-H2O]+	248.107560	152.6
[M+HCOO]-	310.108501	182.0
[M+CH3COO]-	324.124151	173.3
[M+Na-2H]-	286.084966	164.9
[M]+	265.10975142	164.2
[M]-	265.11084858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe