CID 3024744

Crl 41240

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N2CCCCC2

InChI

InChI=1S/C16H22N2O2/c1-12(18-10-4-3-5-11-18)16(20)14-6-8-15(9-7-14)17-13(2)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19)

InChIKey

KATGYFLNMWTKLF-UHFFFAOYSA-N

Compound name

N-[4-(2-piperidin-1-ylpropanoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 274.16812 Da
Monoisotopic Mass: 2.1
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]+	275.175396	165.9
[M+Na]+	297.157338	168.3
[M-H]-	273.160844	169.8
[M+NH4]+	292.201943	179.6
[M+K]+	313.131278	165.8
[M+H-H2O]+	257.165380	157.2
[M+HCOO]-	319.166321	182.8
[M+CH3COO]-	333.181971	202.2
[M+Na-2H]-	295.142786	166.1
[M]+	274.16757142	161.1
[M]-	274.16866858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe