CID 516638

2-pyridin-4-yl-1,3,4,9-tetraaza-phenanthrene

Structural Information

Molecular Formula
C15H9N5
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)N=C(N=N3)C4=CC=NC=C4
InChI
InChI=1S/C15H9N5/c1-2-4-12-11(3-1)14-13(9-17-12)18-15(20-19-14)10-5-7-16-8-6-10/h1-9H
InChIKey
MQGGKZCZWVKCLN-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-[1,2,4]triazino[5,6-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09308 160.4
[M+Na]+ 282.07502 172.3
[M-H]- 258.07852 162.5
[M+NH4]+ 277.11962 171.7
[M+K]+ 298.04896 164.3
[M+H-H2O]+ 242.08306 148.3
[M+HCOO]- 304.08400 177.9
[M+CH3COO]- 318.09965 171.3
[M+Na-2H]- 280.06047 173.5
[M]+ 259.08525 161.4
[M]- 259.08635 161.4
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.