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

literature stripe

Patent stripe

patents stripe