CID 79478

N,n-bis(2-diethylaminoethyl)aniline

Structural Information

Molecular Formula

C₁₈H₃₃N₃

SMILES

CCN(CC)CCN(CCN(CC)CC)C1=CC=CC=C1

InChI

InChI=1S/C18H33N3/c1-5-19(6-2)14-16-21(17-15-20(7-3)8-4)18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3

InChIKey

FPVVUDMZUOYOEU-UHFFFAOYSA-N

Compound name

N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 291.26746 Da
Monoisotopic Mass: 3.3
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]+	292.274736	178.8
[M+Na]+	314.256678	180.1
[M-H]-	290.260184	184.8
[M+NH4]+	309.301283	195.1
[M+K]+	330.230618	180.1
[M+H-H2O]+	274.264720	169.4
[M+HCOO]-	336.265661	204.8
[M+CH3COO]-	350.281311	223.6
[M+Na-2H]-	312.242126	180.6
[M]+	291.26691142	183.5
[M]-	291.26800858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe