CID 378811

147614-21-9

Structural Information

Molecular Formula

C₂₃H₃₆N₂O

SMILES

C1CCCN(CC1)CCCNC(=O)C(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H36N2O/c26-23(24-16-11-19-25-17-9-1-2-10-18-25)22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3,5-6,12-13,21-22H,1-2,4,7-11,14-19H2,(H,24,26)

InChIKey

AGKAAJMNNVUNDK-UHFFFAOYSA-N

Compound name

N-[3-(azepan-1-yl)propyl]-2-cyclohexyl-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 50
Patents: 356.28278 Da
Monoisotopic Mass: 5.5
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]+	357.29006	189.3
[M+Na]+	379.27200	185.0
[M-H]-	355.27550	194.8
[M+NH4]+	374.31660	197.9
[M+K]+	395.24594	185.0
[M+H-H2O]+	339.28004	179.1
[M+HCOO]-	401.28098	201.1
[M+CH3COO]-	415.29663	216.4
[M+Na-2H]-	377.25745	186.9
[M]+	356.28223	176.9
[M]-	356.28333	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe