CID 121305

(2-(2,6-xylyloxy)ethyl)amino-4,5-dihydroimidazole hydriodide

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

CC1=C(C(=CC=C1)C)OCCNC2=NCCN2

InChI

InChI=1S/C13H19N3O/c1-10-4-3-5-11(2)12(10)17-9-8-16-13-14-6-7-15-13/h3-5H,6-9H2,1-2H3,(H2,14,15,16)

InChIKey

DSUQYTGIRYPVSJ-UHFFFAOYSA-N

Compound name

N-[2-(2,6-dimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.15282 Da
Monoisotopic Mass: 1.4
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]+	234.160096	154.2
[M+Na]+	256.142038	160.8
[M-H]-	232.145544	156.8
[M+NH4]+	251.186643	170.4
[M+K]+	272.115978	156.8
[M+H-H2O]+	216.150080	145.7
[M+HCOO]-	278.151021	175.5
[M+CH3COO]-	292.166671	190.5
[M+Na-2H]-	254.127486	157.9
[M]+	233.15227142	152.9
[M]-	233.15336858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe