CID 2803172

36770-50-0

Structural Information

Molecular Formula
C12H9N5
SMILES
C1=CC=NC(=C1)C2=NC(=NN2)C3=CC=NC=C3
InChI
InChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChIKey
WOFXUCJTFGKKIF-UHFFFAOYSA-N
Compound name
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

10
Patents

223.0858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09308 148.5
[M+Na]+ 246.07502 157.9
[M-H]- 222.07852 150.7
[M+NH4]+ 241.11962 160.3
[M+K]+ 262.04896 151.7
[M+H-H2O]+ 206.08306 137.3
[M+HCOO]- 268.08400 167.2
[M+CH3COO]- 282.09965 159.6
[M+Na-2H]- 244.06047 156.0
[M]+ 223.08525 146.1
[M]- 223.08635 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.