CID 202071

7410-09-5

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]+ 314.12880 174.1
[M+Na]+ 336.11074 182.5
[M-H]- 312.11424 183.1
[M+NH4]+ 331.15534 185.3
[M+K]+ 352.08468 175.4
[M+H-H2O]+ 296.11878 162.2
[M+HCOO]- 358.11972 194.5
[M+CH3COO]- 372.13537 184.8
[M+Na-2H]- 334.09619 177.3
[M]+ 313.12097 172.4
[M]- 313.12207 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.