CID 45005

O-(beta-diethylamino)ethoxybenzamide hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CCN(CC)CCOC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-12-8-6-5-7-11(12)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)

InChIKey

BXYSYNMVKLPCML-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethoxy]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.15248 Da
Monoisotopic Mass: 1.6
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]+	237.159756	156.3
[M+Na]+	259.141698	161.3
[M-H]-	235.145204	160.4
[M+NH4]+	254.186303	173.8
[M+K]+	275.115638	160.3
[M+H-H2O]+	219.149740	148.9
[M+HCOO]-	281.150681	181.1
[M+CH3COO]-	295.166331	201.2
[M+Na-2H]-	257.127146	159.1
[M]+	236.15193142	158.3
[M]-	236.15302858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe