CID 457280

4-biphenylyl pyrazinoate

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H12N2O2/c20-17(16-12-18-10-11-19-16)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H

InChIKey

DZGWFELKBYEJSF-UHFFFAOYSA-N

Compound name

(4-phenylphenyl) pyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 276.08987 Da
Monoisotopic Mass: 3.0
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]+	277.097146	162.8
[M+Na]+	299.079088	170.1
[M-H]-	275.082594	169.6
[M+NH4]+	294.123693	175.0
[M+K]+	315.053028	165.3
[M+H-H2O]+	259.087130	152.0
[M+HCOO]-	321.088071	184.2
[M+CH3COO]-	335.103721	174.0
[M+Na-2H]-	297.064536	169.9
[M]+	276.08932142	162.7
[M]-	276.09041858	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.