CID 9861063

452342-37-9

Structural Information

Molecular Formula
C19H14N4
SMILES
C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4
InChI
InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-12-15(9-11-21-18)16-13-22-23-19(16)17-8-4-5-10-20-17/h1-13H,(H,22,23)
InChIKey
BDCBRQYHYNUWAM-UHFFFAOYSA-N
Compound name
2-phenyl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

636
Patents

298.12186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12914 169.5
[M+Na]+ 321.11108 177.9
[M-H]- 297.11458 175.8
[M+NH4]+ 316.15568 179.2
[M+K]+ 337.08502 169.5
[M+H-H2O]+ 281.11912 157.3
[M+HCOO]- 343.12006 188.4
[M+CH3COO]- 357.13571 179.5
[M+Na-2H]- 319.09653 174.8
[M]+ 298.12131 166.6
[M]- 298.12241 166.6
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