CID 60379

109808-49-3

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₃

SMILES

COC1=CC=CC(=C1)C(=O)NCCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C19H24N2O3/c1-23-18-7-5-6-15(14-18)19(22)21-12-3-2-4-13-24-17-10-8-16(20)9-11-17/h5-11,14H,2-4,12-13,20H2,1H3,(H,21,22)

InChIKey

AJMIGFQDAPDDKQ-UHFFFAOYSA-N

Compound name

N-[5-(4-aminophenoxy)pentyl]-3-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.17868 Da
Monoisotopic Mass: 3.2
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]+	329.185956	179.3
[M+Na]+	351.167898	183.6
[M-H]-	327.171404	184.8
[M+NH4]+	346.212503	192.1
[M+K]+	367.141838	179.9
[M+H-H2O]+	311.175940	170.0
[M+HCOO]-	373.176881	203.2
[M+CH3COO]-	387.192531	214.3
[M+Na-2H]-	349.153346	181.8
[M]+	328.17813142	181.3
[M]-	328.17922858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe