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
2
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]+ 285.19615 171.2
[M+Na]+ 307.17809 176.0
[M-H]- 283.18159 173.9
[M+NH4]+ 302.22269 185.5
[M+K]+ 323.15203 171.4
[M+H-H2O]+ 267.18613 161.4
[M+HCOO]- 329.18707 191.8
[M+CH3COO]- 343.20272 200.6
[M+Na-2H]- 305.16354 173.2
[M]+ 284.18832 173.4
[M]- 284.18942 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.