CID 3039233

1,2-ethanediamine, n'-(4-chloro-2-(phenylmethyl)phenyl)-n,n-diethyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₉H₂₅ClN₂

SMILES

CCN(CC)CCNC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C19H25ClN2/c1-3-22(4-2)13-12-21-19-11-10-18(20)15-17(19)14-16-8-6-5-7-9-16/h5-11,15,21H,3-4,12-14H2,1-2H3

InChIKey

QACXBIYHLNXRIX-UHFFFAOYSA-N

Compound name

N-(2-benzyl-4-chlorophenyl)-N',N'-diethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.17062 Da
Monoisotopic Mass: 5.2
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	178.4
[M+Na]+	339.159838	183.9
[M-H]-	315.163344	185.4
[M+NH4]+	334.204443	193.8
[M+K]+	355.133778	178.1
[M+H-H2O]+	299.167880	170.1
[M+HCOO]-	361.168821	198.9
[M+CH3COO]-	375.184471	216.1
[M+Na-2H]-	337.145286	181.5
[M]+	316.17007142	182.0
[M]-	316.17116858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.