CID 2852313

1-[5-(4-ethylphenoxy)pentyl]imidazole

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCC1=CC=C(C=C1)OCCCCCN2C=CN=C2
InChI
InChI=1S/C16H22N2O/c1-2-15-6-8-16(9-7-15)19-13-5-3-4-11-18-12-10-17-14-18/h6-10,12,14H,2-5,11,13H2,1H3
InChIKey
HMISJGAQUBRNMF-UHFFFAOYSA-N
Compound name
1-[5-(4-ethylphenoxy)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

258.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.2
[M+Na]+ 281.16244 168.8
[M-H]- 257.16594 165.5
[M+NH4]+ 276.20704 178.0
[M+K]+ 297.13638 164.8
[M+H-H2O]+ 241.17048 152.9
[M+HCOO]- 303.17142 184.3
[M+CH3COO]- 317.18707 196.4
[M+Na-2H]- 279.14789 165.8
[M]+ 258.17267 165.6
[M]- 258.17377 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.