CID 53606

77234-71-0

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(CN3C=CN=C3)O
InChI
InChI=1S/C17H16N2O2/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2
InChIKey
JGJOCYKOFLNFKC-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

280.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 165.7
[M+Na]+ 303.11042 180.0
[M+NH4]+ 298.15502 173.5
[M+K]+ 319.08436 174.3
[M-H]- 279.11392 170.3
[M+Na-2H]- 301.09587 175.9
[M]+ 280.12065 169.0
[M]- 280.12175 169.0
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