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

7
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

literature stripe

Patent stripe

patents stripe