CID 5279599

Bis(4-pyridyl)[?]

Structural Information

Molecular Formula
C21H14N8
SMILES
C1C2=NN=C(N2C3=CC=CC=C3N4C1=NN=C4C5=CC=NC=C5)C6=CC=NC=C6
InChI
InChI=1S/C21H14N8/c1-2-4-17-16(3-1)28-18(24-26-20(28)14-5-9-22-10-6-14)13-19-25-27-21(29(17)19)15-7-11-23-12-8-15/h1-12H,13H2
InChIKey
ROTBYYODCXEETL-UHFFFAOYSA-N
Compound name
3,11-dipyridin-4-yl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.13416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14144 192.1
[M+Na]+ 401.12338 205.7
[M-H]- 377.12688 198.1
[M+NH4]+ 396.16798 199.2
[M+K]+ 417.09732 198.5
[M+H-H2O]+ 361.13142 177.0
[M+HCOO]- 423.13236 206.2
[M+CH3COO]- 437.14801 200.8
[M+Na-2H]- 399.10883 196.7
[M]+ 378.13361 192.8
[M]- 378.13471 192.8
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.