CID 3078487

1-(3-pyridylcarbonyl)-5-(2-furyl)-2-pyrazoline

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1C=NN(C1C2=CC=CO2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C13H11N3O2/c17-13(10-3-1-6-14-9-10)16-11(5-7-15-16)12-4-2-8-18-12/h1-4,6-9,11H,5H2
InChIKey
LLVYEYIQEXJSCQ-UHFFFAOYSA-N
Compound name
[3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

241.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 151.2
[M+Na]+ 264.074348 159.2
[M-H]- 240.077854 158.1
[M+NH4]+ 259.118953 166.1
[M+K]+ 280.048288 157.4
[M+H-H2O]+ 224.082390 142.0
[M+HCOO]- 286.083331 172.1
[M+CH3COO]- 300.098981 163.7
[M+Na-2H]- 262.059796 154.0
[M]+ 241.08458142 151.5
[M]- 241.08567858 151.5
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