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

27
Patents

241.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 152.0
[M+Na]+ 264.07435 165.0
[M+NH4]+ 259.11895 159.2
[M+K]+ 280.04829 163.3
[M-H]- 240.07785 156.3
[M+Na-2H]- 262.05980 160.1
[M]+ 241.08458 154.9
[M]- 241.08568 154.9
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