CID 126388

Dempea

Structural Information

Molecular Formula

C₁₅H₂₂Cl₂N₂

SMILES

CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2

InChI

InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3

InChIKey

ASGIQUHBAVIOTI-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 67
Patents: 300.116 Da
Monoisotopic Mass: 4.0
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]+	301.12328	172.9
[M+Na]+	323.10522	179.2
[M-H]-	299.10872	177.7
[M+NH4]+	318.14982	190.0
[M+K]+	339.07916	173.4
[M+H-H2O]+	283.11326	165.2
[M+HCOO]-	345.11420	185.0
[M+CH3COO]-	359.12985	206.8
[M+Na-2H]-	321.09067	172.4
[M]+	300.11545	175.0
[M]-	300.11655	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe