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
1
Annotation Hits

1
References

0
Patents

276.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 163.2
[M+Na]+ 299.07909 180.2
[M+NH4]+ 294.12369 171.3
[M+K]+ 315.05303 171.6
[M-H]- 275.08259 169.0
[M+Na-2H]- 297.06454 175.8
[M]+ 276.08932 167.4
[M]- 276.09042 167.4
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

No patent data available for this compound.