CID 53779

77791-67-4

Structural Information

Molecular Formula

C₁₆H₂₇N₃O₂

SMILES

CCN(CC)CCN(C)CC(=O)NC1=CC=CC=C1OC

InChI

InChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-18(3)13-16(20)17-14-9-7-8-10-15(14)21-4/h7-10H,5-6,11-13H2,1-4H3,(H,17,20)

InChIKey

ABQPIIBJFFKHJX-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethyl-methylamino]-N-(2-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.21033 Da
Monoisotopic Mass: 1.9
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]+	294.217606	174.2
[M+Na]+	316.199548	177.1
[M-H]-	292.203054	179.6
[M+NH4]+	311.244153	189.9
[M+K]+	332.173488	177.3
[M+H-H2O]+	276.207590	165.4
[M+HCOO]-	338.208531	200.0
[M+CH3COO]-	352.224181	218.7
[M+Na-2H]-	314.184996	176.0
[M]+	293.20978142	178.6
[M]-	293.21087858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe