CID 20471302

1-(2,6-diethylphenyl)-1h-imidazole

Structural Information

Molecular Formula
C13H16N2
SMILES
CCC1=C(C(=CC=C1)CC)N2C=CN=C2
InChI
InChI=1S/C13H16N2/c1-3-11-6-5-7-12(4-2)13(11)15-9-8-14-10-15/h5-10H,3-4H2,1-2H3
InChIKey
HLABUWOSYZYNKP-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.1
[M+Na]+ 223.12057 154.1
[M-H]- 199.12407 149.4
[M+NH4]+ 218.16517 163.8
[M+K]+ 239.09451 150.3
[M+H-H2O]+ 183.12861 136.9
[M+HCOO]- 245.12955 168.0
[M+CH3COO]- 259.14520 186.6
[M+Na-2H]- 221.10602 149.7
[M]+ 200.13080 146.4
[M]- 200.13190 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe