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]+ 291.20671 171.8
[M+Na]+ 313.18865 176.7
[M-H]- 289.19215 172.2
[M+NH4]+ 308.23325 185.0
[M+K]+ 329.16259 171.6
[M+H-H2O]+ 273.19669 162.9
[M+HCOO]- 335.19763 189.3
[M+CH3COO]- 349.21328 197.8
[M+Na-2H]- 311.17410 172.3
[M]+ 290.19888 172.2
[M]- 290.19998 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