CID 3057020

N-(1-(4-phenethyl)benzoylethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC(C(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C20H20N2O/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-16H,7-8H2,1H3
InChIKey
FBLCBJNHTDUALM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.15756 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 174.1
[M+Na]+ 327.14678 188.5
[M+NH4]+ 322.19138 181.9
[M+K]+ 343.12072 182.0
[M-H]- 303.15028 179.1
[M+Na-2H]- 325.13223 184.1
[M]+ 304.15701 177.6
[M]- 304.15811 177.6
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