CID 49798

Brn 2761728

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

COC1=C(C=C2CCCC2=C1)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-23-19-14-17-9-5-8-16(17)13-18(19)10-11-21-20(22)12-15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,21,22)

InChIKey

OPCNJDDBDMXFSP-UHFFFAOYSA-N

Compound name

N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 309.17288 Da
Monoisotopic Mass: 3.9
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]+	310.180156	174.9
[M+Na]+	332.162098	180.0
[M-H]-	308.165604	181.8
[M+NH4]+	327.206703	191.9
[M+K]+	348.136038	175.3
[M+H-H2O]+	292.170140	166.9
[M+HCOO]-	354.171081	197.0
[M+CH3COO]-	368.186731	208.4
[M+Na-2H]-	330.147546	177.0
[M]+	309.17233142	175.6
[M]-	309.17342858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe