CID 243907

2,3-diphenylpyrazine

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
InChIKey
PTZIVVDMBCVSMR-UHFFFAOYSA-N
Compound name
2,3-diphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1024
Patents

232.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.107326 152.1
[M+Na]+ 255.089268 160.2
[M-H]- 231.092774 158.9
[M+NH4]+ 250.133873 166.4
[M+K]+ 271.063208 154.4
[M+H-H2O]+ 215.097310 141.9
[M+HCOO]- 277.098251 174.3
[M+CH3COO]- 291.113901 164.2
[M+Na-2H]- 253.074716 161.0
[M]+ 232.09950142 150.4
[M]- 232.10059858 150.4
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

patents stripe