CID 22692237

4-amino-n-[4-(benzyloxy)phenyl]butanamide

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCN

InChI

InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)

InChIKey

QTWBKNVNGVYTNZ-UHFFFAOYSA-N

Compound name

4-amino-N-(4-phenylmethoxyphenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 284.15247 Da
Monoisotopic Mass: 1.9
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]+	285.159746	167.1
[M+Na]+	307.141688	171.5
[M-H]-	283.145194	172.6
[M+NH4]+	302.186293	181.5
[M+K]+	323.115628	167.5
[M+H-H2O]+	267.149730	158.4
[M+HCOO]-	329.150671	191.5
[M+CH3COO]-	343.166321	204.9
[M+Na-2H]-	305.127136	171.4
[M]+	284.15192142	166.6
[M]-	284.15301858	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe