CID 853046

17102-89-5

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-9(17)14-13(15-10(2)18)11-5-7-12(8-6-11)16(3)4/h5-8,13H,1-4H3,(H,14,17)(H,15,18)

InChIKey

YYPJDXAXWCIFEK-UHFFFAOYSA-N

Compound name

N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 249.14772 Da
Monoisotopic Mass: 0.6
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]+	250.15500	159.9
[M+Na]+	272.13694	163.9
[M-H]-	248.14044	164.7
[M+NH4]+	267.18154	176.6
[M+K]+	288.11088	163.9
[M+H-H2O]+	232.14498	152.3
[M+HCOO]-	294.14592	184.5
[M+CH3COO]-	308.16157	206.7
[M+Na-2H]-	270.12239	161.5
[M]+	249.14717	159.9
[M]-	249.14827	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe