CID 56322

Brn 2813965

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

CC(=O)N(CC(=O)N(C)C)C1=CC=CC=C1OC

InChI

InChI=1S/C13H18N2O3/c1-10(16)15(9-13(17)14(2)3)11-7-5-6-8-12(11)18-4/h5-8H,9H2,1-4H3

InChIKey

KZIJYHPLSMBOJD-UHFFFAOYSA-N

Compound name

2-(N-acetyl-2-methoxyanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.13174 Da
Monoisotopic Mass: 0.4
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]+	251.139016	157.7
[M+Na]+	273.120958	163.0
[M-H]-	249.124464	164.0
[M+NH4]+	268.165563	175.5
[M+K]+	289.094898	164.4
[M+H-H2O]+	233.129000	150.2
[M+HCOO]-	295.129941	183.1
[M+CH3COO]-	309.145591	206.1
[M+Na-2H]-	271.106406	159.8
[M]+	250.13119142	162.0
[M]-	250.13228858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe