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]+ 261.19615 164.3
[M+Na]+ 283.17809 169.5
[M-H]- 259.18159 167.4
[M+NH4]+ 278.22269 179.9
[M+K]+ 299.15203 166.3
[M+H-H2O]+ 243.18613 155.1
[M+HCOO]- 305.18707 183.9
[M+CH3COO]- 319.20272 197.5
[M+Na-2H]- 281.16354 165.7
[M]+ 260.18832 165.6
[M]- 260.18942 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.