CID 51709

72825-24-2

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H14N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKey
CTBDNAHBIPBRTI-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

262.11063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.9
[M+Na]+ 285.099848 167.3
[M-H]- 261.103354 167.0
[M+NH4]+ 280.144453 174.8
[M+K]+ 301.073788 162.2
[M+H-H2O]+ 245.107890 150.0
[M+HCOO]- 307.108831 182.1
[M+CH3COO]- 321.124481 171.7
[M+Na-2H]- 283.085296 164.1
[M]+ 262.11008142 159.6
[M]- 262.11117858 159.6
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