CID 14880885

3-(4-phenylbenzoyl)pyridine

Structural Information

Molecular Formula
C18H13NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H13NO/c20-18(17-7-4-12-19-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H
InChIKey
DRIKHOZQBVFKPA-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.0997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10698 159.2
[M+Na]+ 282.08892 166.2
[M-H]- 258.09242 167.3
[M+NH4]+ 277.13352 173.5
[M+K]+ 298.06286 160.8
[M+H-H2O]+ 242.09696 149.5
[M+HCOO]- 304.09790 181.4
[M+CH3COO]- 318.11355 170.9
[M+Na-2H]- 280.07437 165.7
[M]+ 259.09915 157.7
[M]- 259.10025 157.7
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

patents stripe