CID 209460

Brn 2988786

Structural Information

Molecular Formula

C₁₈H₂₈N₂O

SMILES

CCN(CC)CC(=O)NC(C1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2O/c1-3-20(4-2)14-17(21)19-18(16-12-8-9-13-16)15-10-6-5-7-11-15/h5-7,10-11,16,18H,3-4,8-9,12-14H2,1-2H3,(H,19,21)

InChIKey

IYXSDQBHGNTYOJ-UHFFFAOYSA-N

Compound name

N-[cyclopentyl(phenyl)methyl]-2-(diethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.22015 Da
Monoisotopic Mass: 3.7
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]+	289.227426	174.3
[M+Na]+	311.209368	175.0
[M-H]-	287.212874	180.6
[M+NH4]+	306.253973	190.9
[M+K]+	327.183308	173.1
[M+H-H2O]+	271.217410	165.8
[M+HCOO]-	333.218351	196.1
[M+CH3COO]-	347.234001	210.1
[M+Na-2H]-	309.194816	173.3
[M]+	288.21960142	171.9
[M]-	288.22069858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.