CID 32122

N-(alpha-(p-chlorophenyl)benzyl)-n-methyl-n'-propylethylenediamine oxalate

Structural Information

Molecular Formula

C₁₉H₂₅ClN₂

SMILES

CCCNCCN(C)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN2/c1-3-13-21-14-15-22(2)19(16-7-5-4-6-8-16)17-9-11-18(20)12-10-17/h4-12,19,21H,3,13-15H2,1-2H3

InChIKey

NTLDHBKRNWDVKM-UHFFFAOYSA-N

Compound name

N'-[(4-chlorophenyl)-phenylmethyl]-N'-methyl-N-propylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.17062 Da
Monoisotopic Mass: 4.5
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]+	317.177896	178.5
[M+Na]+	339.159838	182.8
[M-H]-	315.163344	185.2
[M+NH4]+	334.204443	193.5
[M+K]+	355.133778	177.5
[M+H-H2O]+	299.167880	170.1
[M+HCOO]-	361.168821	198.1
[M+CH3COO]-	375.184471	215.8
[M+Na-2H]-	337.145286	181.2
[M]+	316.17007142	181.2
[M]-	316.17116858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.