CID 3016399

Einecs 256-024-9

Structural Information

Molecular Formula

C₁₈H₃₈N₄

SMILES

CCCCCCCCCCCC1=NCCN1CCNCCN

InChI

InChI=1S/C18H38N4/c1-2-3-4-5-6-7-8-9-10-11-18-21-15-17-22(18)16-14-20-13-12-19/h20H,2-17,19H2,1H3

InChIKey

SPRVNAMHCBVRJW-UHFFFAOYSA-N

Compound name

N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 310.30966 Da
Monoisotopic Mass: 3.2
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]+	311.316936	182.2
[M+Na]+	333.298878	183.7
[M-H]-	309.302384	180.4
[M+NH4]+	328.343483	195.3
[M+K]+	349.272818	179.5
[M+H-H2O]+	293.306920	172.2
[M+HCOO]-	355.307861	201.8
[M+CH3COO]-	369.323511	214.5
[M+Na-2H]-	331.284326	181.5
[M]+	310.30911142	183.5
[M]-	310.31020858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe