CID 53616

4-biphenylmethanol, alpha-(1-imidazolylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CN3C=CN=C3)O
InChI
InChI=1S/C17H16N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,13,17,20H,12H2
InChIKey
YOHUWKWWIQCJSP-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

264.12625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.7
[M+Na]+ 287.11547 167.4
[M-H]- 263.11897 166.4
[M+NH4]+ 282.16007 174.9
[M+K]+ 303.08941 162.0
[M+H-H2O]+ 247.12351 151.1
[M+HCOO]- 309.12445 181.3
[M+CH3COO]- 323.14010 171.8
[M+Na-2H]- 285.10092 164.6
[M]+ 264.12570 159.3
[M]- 264.12680 159.3
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