CID 53612

77234-74-3

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H14N2O/c20-17(12-19-11-10-18-13-19)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKey
TVYSNMRTGOTTCE-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

262.11063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 159.9
[M+Na]+ 285.09985 167.3
[M-H]- 261.10335 167.0
[M+NH4]+ 280.14445 174.8
[M+K]+ 301.07379 162.2
[M+H-H2O]+ 245.10789 150.0
[M+HCOO]- 307.10883 182.1
[M+CH3COO]- 321.12448 171.7
[M+Na-2H]- 283.08530 164.1
[M]+ 262.11008 159.6
[M]- 262.11118 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.