CID 212064

R.494

Structural Information

Molecular Formula

C₁₈H₃₃N₃

SMILES

CCCCCCN(CCN(CC)CC)C1=C(C=CC=N1)C

InChI

InChI=1S/C18H33N3/c1-5-8-9-10-14-21(16-15-20(6-2)7-3)18-17(4)12-11-13-19-18/h11-13H,5-10,14-16H2,1-4H3

InChIKey

NVJARSBDDAQWPA-UHFFFAOYSA-N

Compound name

N,N-diethyl-N'-hexyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 291.26746 Da
Monoisotopic Mass: 4.8
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	178.0
[M+Na]+	314.256678	181.0
[M-H]-	290.260184	181.5
[M+NH4]+	309.301283	193.1
[M+K]+	330.230618	179.4
[M+H-H2O]+	274.264720	168.5
[M+HCOO]-	336.265661	201.2
[M+CH3COO]-	350.281311	218.9
[M+Na-2H]-	312.242126	179.8
[M]+	291.26691142	183.1
[M]-	291.26800858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe