CID 202071

Dtxsid20995545

Structural Information

Molecular Formula
C20H15N3O
SMILES
C1=CC=C(C=C1)C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C20H15N3O/c24-20-18(15-7-3-1-4-8-15)19(16-11-13-21-14-12-16)22-23(20)17-9-5-2-6-10-17/h1-14,18H
InChIKey
HMAWQNSWFYZWHG-UHFFFAOYSA-N
Compound name
2,4-diphenyl-5-pyridin-4-yl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12152 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.128796 174.1
[M+Na]+ 336.110738 182.5
[M-H]- 312.114244 183.1
[M+NH4]+ 331.155343 185.3
[M+K]+ 352.084678 175.4
[M+H-H2O]+ 296.118780 162.2
[M+HCOO]- 358.119721 194.5
[M+CH3COO]- 372.135371 184.8
[M+Na-2H]- 334.096186 177.3
[M]+ 313.12097142 172.4
[M]- 313.12206858 172.4
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

No patent data available for this compound.