CID 3058924

1-(2-(2-naphthoyl)ethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCN3C=CN=C3
InChI
InChI=1S/C16H14N2O/c19-16(7-9-18-10-8-17-12-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2
InChIKey
NWUMSFPZTJUANH-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.4
[M+Na]+ 273.099828 165.4
[M-H]- 249.103334 161.6
[M+NH4]+ 268.144433 173.3
[M+K]+ 289.073768 160.3
[M+H-H2O]+ 233.107870 147.4
[M+HCOO]- 295.108811 178.9
[M+CH3COO]- 309.124461 168.9
[M+Na-2H]- 271.085276 162.7
[M]+ 250.11006142 158.6
[M]- 250.11115858 158.6
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