CID 4338220

4-(1h-pyrazol-4-yl)quinoline

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C3=CNN=C3
InChI
InChI=1S/C12H9N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-8H,(H,14,15)
InChIKey
PJKFKLYKZFIEHG-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-4-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

195.07965 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08693 139.8
[M+Na]+ 218.06887 150.4
[M-H]- 194.07237 142.7
[M+NH4]+ 213.11347 157.1
[M+K]+ 234.04281 144.6
[M+H-H2O]+ 178.07691 131.0
[M+HCOO]- 240.07785 161.4
[M+CH3COO]- 254.09350 152.8
[M+Na-2H]- 216.05432 149.1
[M]+ 195.07910 139.3
[M]- 195.08020 139.3
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