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

0
Patents

233.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 154.2
[M+Na]+ 256.14204 160.8
[M-H]- 232.14554 156.8
[M+NH4]+ 251.18664 170.4
[M+K]+ 272.11598 156.8
[M+H-H2O]+ 216.15008 145.7
[M+HCOO]- 278.15102 175.5
[M+CH3COO]- 292.16667 190.5
[M+Na-2H]- 254.12749 157.9
[M]+ 233.15227 152.9
[M]- 233.15337 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe