CID 14050877

3-phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1C(=NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-9H,10H2
InChIKey
WOMZEWNZGULGJE-UHFFFAOYSA-N
Compound name
5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

237.09021 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 152.1
[M+Na]+ 260.07943 161.1
[M-H]- 236.08293 158.2
[M+NH4]+ 255.12403 167.0
[M+K]+ 276.05337 156.2
[M+H-H2O]+ 220.08747 141.9
[M+HCOO]- 282.08841 173.6
[M+CH3COO]- 296.10406 164.4
[M+Na-2H]- 258.06488 157.2
[M]+ 237.08966 150.9
[M]- 237.09076 150.9
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