CID 59196

102008-47-9

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C19H24N2O2/c20-17-9-11-18(12-10-17)23-14-6-2-5-13-21-19(22)15-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15,20H2,(H,21,22)

InChIKey

CCLVDHSIXUGPSY-UHFFFAOYSA-N

Compound name

N-[5-(4-aminophenoxy)pentyl]-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 312.18378 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]+	313.191056	176.1
[M+Na]+	335.172998	179.5
[M-H]-	311.176504	181.2
[M+NH4]+	330.217603	189.3
[M+K]+	351.146938	175.1
[M+H-H2O]+	295.181040	166.9
[M+HCOO]-	357.181981	199.8
[M+CH3COO]-	371.197631	210.9
[M+Na-2H]-	333.158446	179.3
[M]+	312.18323142	176.2
[M]-	312.18432858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe