CID 6436121

1-(3-benzyloxy-1(e)octenyl)imidazole

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCCCCC(/C=C/N1C=CN=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3/b13-11+
InChIKey
YPIURPNVKACZQH-ACCUITESSA-N
Compound name
1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

66
Patents

284.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 171.2
[M+Na]+ 307.178088 176.0
[M-H]- 283.181594 173.9
[M+NH4]+ 302.222693 185.5
[M+K]+ 323.152028 171.4
[M+H-H2O]+ 267.186130 161.4
[M+HCOO]- 329.187071 191.8
[M+CH3COO]- 343.202721 200.6
[M+Na-2H]- 305.163536 173.2
[M]+ 284.18832142 173.4
[M]- 284.18941858 173.4
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