CID 447966

4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline

Structural Information

Molecular Formula
C17H12N4
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4
InChI
InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
InChIKey
IBCXZJCWDGCXQT-UHFFFAOYSA-N
Compound name
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

1098
Patents

272.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11348 161.9
[M+Na]+ 295.09542 172.4
[M-H]- 271.09892 166.6
[M+NH4]+ 290.14002 174.3
[M+K]+ 311.06936 164.2
[M+H-H2O]+ 255.10346 150.8
[M+HCOO]- 317.10440 181.5
[M+CH3COO]- 331.12005 173.0
[M+Na-2H]- 293.08087 169.8
[M]+ 272.10565 161.2
[M]- 272.10675 161.2
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