CID 53618

1-propanol, 1-(4-biphenylyl)-2-(1-imidazolyl)-, hydrochloride

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC(C(C1=CC=C(C=C1)C2=CC=CC=C2)O)N3C=CN=C3
InChI
InChI=1S/C18H18N2O/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14,18,21H,1H3
InChIKey
PVWFUCRYWYDOJS-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 166.5
[M+Na]+ 301.13112 180.8
[M+NH4]+ 296.17572 174.6
[M+K]+ 317.10506 175.2
[M-H]- 277.13462 171.4
[M+Na-2H]- 299.11657 176.6
[M]+ 278.14135 170.0
[M]- 278.14245 170.0
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

No patent data available for this compound.