CID 4052484

2-(4,5-dihydro-1h-imidazol-2-yl)-5-(octyloxy)phenol

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCCCCCOC1=CC(=C(C=C1)C2=NCCN2)O
InChI
InChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-12-21-14-8-9-15(16(20)13-14)17-18-10-11-19-17/h8-9,13,20H,2-7,10-12H2,1H3,(H,18,19)
InChIKey
PYEQZBAPTIFGPU-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 171.8
[M+Na]+ 313.188648 176.7
[M-H]- 289.192154 172.2
[M+NH4]+ 308.233253 185.0
[M+K]+ 329.162588 171.6
[M+H-H2O]+ 273.196690 162.9
[M+HCOO]- 335.197631 189.3
[M+CH3COO]- 349.213281 197.8
[M+Na-2H]- 311.174096 172.3
[M]+ 290.19888142 172.2
[M]- 290.19997858 172.2
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

patents stripe