CID 53622

1-propanol, 1-(4-biphenylyl)-3-(1-imidazolyl)-, hydrochloride

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCN3C=CN=C3)O
InChI
InChI=1S/C18H18N2O/c21-18(10-12-20-13-11-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,11,13-14,18,21H,10,12H2
InChIKey
LVJILDGVTZJXQK-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.3
[M+Na]+ 301.131118 171.4
[M-H]- 277.134624 170.8
[M+NH4]+ 296.175723 178.9
[M+K]+ 317.105058 165.9
[M+H-H2O]+ 261.139160 155.4
[M+HCOO]- 323.140101 185.4
[M+CH3COO]- 337.155751 175.9
[M+Na-2H]- 299.116566 168.6
[M]+ 278.14135142 164.1
[M]- 278.14244858 164.1
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

No patent data available for this compound.