CID 3052572

1-piperidineacetamide, n-(((4-ethoxyphenyl)amino)carbonyl)-4-phenyl-

Structural Information

Molecular Formula

C₂₂H₂₇N₃O₃

SMILES

CCOC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)23-22(27)24-21(26)16-25-14-12-18(13-15-25)17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H2,23,24,26,27)

InChIKey

LNPYZUNADKJNBN-UHFFFAOYSA-N

Compound name

N-[(4-ethoxyphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.20523 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]+	382.212506	192.2
[M+Na]+	404.194448	193.3
[M-H]-	380.197954	198.8
[M+NH4]+	399.239053	200.7
[M+K]+	420.168388	189.2
[M+H-H2O]+	364.202490	181.0
[M+HCOO]-	426.203431	210.5
[M+CH3COO]-	440.219081	222.4
[M+Na-2H]-	402.179896	193.0
[M]+	381.20468142	188.3
[M]-	381.20577858	188.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.