CID 66015333

4-(3-phenyl-1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C14H11N3/c1-2-4-12(5-3-1)14-8-11-17(16-14)13-6-9-15-10-7-13/h1-11H
InChIKey
RCWQPOFTXGCZDY-UHFFFAOYSA-N
Compound name
4-(3-phenylpyrazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.09529 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 147.9
[M+Na]+ 244.08451 156.8
[M-H]- 220.08801 153.8
[M+NH4]+ 239.12911 163.3
[M+K]+ 260.05845 151.6
[M+H-H2O]+ 204.09255 137.6
[M+HCOO]- 266.09349 170.3
[M+CH3COO]- 280.10914 160.4
[M+Na-2H]- 242.06996 154.8
[M]+ 221.09474 146.9
[M]- 221.09584 146.9
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

patents stripe