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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.106976	159.2
[M+Na]+	282.088918	166.2
[M-H]-	258.092424	167.3
[M+NH4]+	277.133523	173.5
[M+K]+	298.062858	160.8
[M+H-H2O]+	242.096960	149.5
[M+HCOO]-	304.097901	181.4
[M+CH3COO]-	318.113551	170.9
[M+Na-2H]-	280.074366	165.7
[M]+	259.09915142	157.7
[M]-	259.10024858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe