CID 56414

Brn 2744599

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-15(2)10-14(19)17(11-13(18)16(3)4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3

InChIKey

CEBZRUWEUUBYHH-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 263.1634 Da
Monoisotopic Mass: 0.9
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]+	264.170676	164.6
[M+Na]+	286.152618	167.8
[M-H]-	262.156124	171.7
[M+NH4]+	281.197223	181.8
[M+K]+	302.126558	169.8
[M+H-H2O]+	246.160660	156.1
[M+HCOO]-	308.161601	190.9
[M+CH3COO]-	322.177251	214.4
[M+Na-2H]-	284.138066	166.2
[M]+	263.16285142	167.9
[M]-	263.16394858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe