CID 435386

C 5405

Structural Information

Molecular Formula

C₁₆H₂₆ClN₃O

SMILES

CCN(CC)CCN(C)C(C)C(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C16H26ClN3O/c1-5-20(6-2)12-11-19(4)13(3)16(21)18-15-10-8-7-9-14(15)17/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)

InChIKey

BXQOLQWNEFCLSG-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2-[2-(diethylamino)ethyl-methylamino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.17645 Da
Monoisotopic Mass: 3.0
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]+	312.183726	179.0
[M+Na]+	334.165668	182.7
[M-H]-	310.169174	184.4
[M+NH4]+	329.210273	194.9
[M+K]+	350.139608	180.7
[M+H-H2O]+	294.173710	171.6
[M+HCOO]-	356.174651	199.2
[M+CH3COO]-	370.190301	221.1
[M+Na-2H]-	332.151116	179.0
[M]+	311.17590142	183.7
[M]-	311.17699858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe