CID 3059772

N-(1-(4-phenylbenzoyl)ethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C18H16N2O/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
InChIKey
ZMWDZKFGQNUTMM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

276.12625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 164.5
[M+Na]+ 299.115468 171.1
[M-H]- 275.118974 171.5
[M+NH4]+ 294.160073 178.7
[M+K]+ 315.089408 166.3
[M+H-H2O]+ 259.123510 154.6
[M+HCOO]- 321.124451 185.3
[M+CH3COO]- 335.140101 175.7
[M+Na-2H]- 297.100916 167.0
[M]+ 276.12570142 163.9
[M]- 276.12679858 163.9
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