CID 613762

3,5-di(2-pyridyl)pyrazole

Structural Information

Molecular Formula
C13H10N4
SMILES
C1=CC=NC(=C1)C2=CC(=NN2)C3=CC=CC=N3
InChI
InChI=1S/C13H10N4/c1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11/h1-9H,(H,16,17)
InChIKey
IMDRKCUYKQQEAC-UHFFFAOYSA-N
Compound name
2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

222.09055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.097826 148.2
[M+Na]+ 245.079768 157.1
[M-H]- 221.083274 151.6
[M+NH4]+ 240.124373 161.4
[M+K]+ 261.053708 151.0
[M+H-H2O]+ 205.087810 137.6
[M+HCOO]- 267.088751 168.1
[M+CH3COO]- 281.104401 159.7
[M+Na-2H]- 243.065216 155.2
[M]+ 222.09000142 145.6
[M]- 222.09109858 145.6
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