CID 59197

102008-49-1

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂

SMILES

CN(CCCCCOC1=CC=C(C=C1)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O2/c1-21(19(22)16-8-4-2-5-9-16)14-6-3-7-15-23-18-12-10-17(20)11-13-18/h2,4-5,8-13H,3,6-7,14-15,20H2,1H3

InChIKey

VDBUUBRVVWMOQH-UHFFFAOYSA-N

Compound name

N-[5-(4-aminophenoxy)pentyl]-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 312.18378 Da
Monoisotopic Mass: 3.4
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]+	313.191056	177.1
[M+Na]+	335.172998	180.7
[M-H]-	311.176504	183.7
[M+NH4]+	330.217603	191.0
[M+K]+	351.146938	177.7
[M+H-H2O]+	295.181040	167.8
[M+HCOO]-	357.181981	201.3
[M+CH3COO]-	371.197631	214.2
[M+Na-2H]-	333.158446	179.5
[M]+	312.18323142	178.5
[M]-	312.18432858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe