CID 90682

25005-95-2

Structural Information

Molecular Formula
C14H12N4
SMILES
C1CN=C(C(=N1)C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C14H12N4/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12/h1-8H,9-10H2
InChIKey
QGRHYAPZGPPUEM-UHFFFAOYSA-N
Compound name
5,6-dipyridin-2-yl-2,3-dihydropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

236.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 154.4
[M+Na]+ 259.09542 162.3
[M-H]- 235.09892 158.1
[M+NH4]+ 254.14002 165.5
[M+K]+ 275.06936 156.4
[M+H-H2O]+ 219.10346 142.5
[M+HCOO]- 281.10440 172.8
[M+CH3COO]- 295.12005 165.0
[M+Na-2H]- 257.08087 163.3
[M]+ 236.10565 151.4
[M]- 236.10675 151.4
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