CID 3059776

N-(beta-(4-phenylbenzoyl)ethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCN3C=CN=C3
InChI
InChI=1S/C18H16N2O/c21-18(10-12-20-13-11-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2
InChIKey
RWVHEBZHLGWEAX-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

276.12625 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.6
[M+Na]+ 299.11547 180.9
[M+NH4]+ 294.16007 173.9
[M+K]+ 315.08941 174.0
[M-H]- 275.11897 170.9
[M+Na-2H]- 297.10092 176.5
[M]+ 276.12570 169.4
[M]- 276.12680 169.4
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