CID 36384

1-butyl-2-(alpha-ethoxybenzyl)-2-imidazoline

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCCN1CCN=C1C(C2=CC=CC=C2)OCC
InChI
InChI=1S/C16H24N2O/c1-3-5-12-18-13-11-17-16(18)15(19-4-2)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
InChIKey
JGEJFPRBINRCOC-UHFFFAOYSA-N
Compound name
1-butyl-2-[ethoxy(phenyl)methyl]-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.3
[M+Na]+ 283.178088 169.5
[M-H]- 259.181594 167.4
[M+NH4]+ 278.222693 179.9
[M+K]+ 299.152028 166.3
[M+H-H2O]+ 243.186130 155.1
[M+HCOO]- 305.187071 183.9
[M+CH3COO]- 319.202721 197.5
[M+Na-2H]- 281.163536 165.7
[M]+ 260.18832142 165.6
[M]- 260.18941858 165.6
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

No patent data available for this compound.