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 162.8
[M+Na]+ 299.07909 170.1
[M-H]- 275.08259 169.6
[M+NH4]+ 294.12369 175.0
[M+K]+ 315.05303 165.3
[M+H-H2O]+ 259.08713 152.0
[M+HCOO]- 321.08807 184.2
[M+CH3COO]- 335.10372 174.0
[M+Na-2H]- 297.06454 169.9
[M]+ 276.08932 162.7
[M]- 276.09042 162.7
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.