CID 203399

14307-90-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCN(CC)C(=O)CNC1=CC=CC=C1

InChI

InChI=1S/C12H18N2O/c1-3-14(4-2)12(15)10-13-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3

InChIKey

DQKMLOJHVJGWCB-UHFFFAOYSA-N

Compound name

2-anilino-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 206.1419 Da
Monoisotopic Mass: 2.2
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]+	207.149176	148.8
[M+Na]+	229.131118	153.4
[M-H]-	205.134624	153.2
[M+NH4]+	224.175723	167.6
[M+K]+	245.105058	152.4
[M+H-H2O]+	189.139160	141.5
[M+HCOO]-	251.140101	174.3
[M+CH3COO]-	265.155751	194.9
[M+Na-2H]-	227.116566	153.9
[M]+	206.14135142	149.5
[M]-	206.14244858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe