CID 39521

49745-00-8

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂

SMILES

CC(=NC1=CC=C(C=C1)NC(=O)COC)N(C)C

InChI

InChI=1S/C13H19N3O2/c1-10(16(2)3)14-11-5-7-12(8-6-11)15-13(17)9-18-4/h5-8H,9H2,1-4H3,(H,15,17)

InChIKey

MKFMTNNOZQXQBP-UHFFFAOYSA-N

Compound name

N-[4-[1-(dimethylamino)ethylideneamino]phenyl]-2-methoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1393
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]+	250.154996	159.5
[M+Na]+	272.136938	164.2
[M-H]-	248.140444	165.6
[M+NH4]+	267.181543	177.1
[M+K]+	288.110878	164.5
[M+H-H2O]+	232.144980	151.5
[M+HCOO]-	294.145921	186.6
[M+CH3COO]-	308.161571	207.5
[M+Na-2H]-	270.122386	162.9
[M]+	249.14717142	162.0
[M]-	249.14826858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe