CID 252500

2-phenyl-4-phenylacetamido-3-pyrazolin-5-one

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CN(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O2/c21-16(11-13-7-3-1-4-8-13)18-15-12-20(19-17(15)22)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,21)(H,19,22)
InChIKey
IVAVXWBYIKXSTO-UHFFFAOYSA-N
Compound name
N-(5-oxo-2-phenyl-1H-pyrazol-4-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 166.3
[M+Na]+ 316.10564 173.4
[M-H]- 292.10914 172.6
[M+NH4]+ 311.15024 179.1
[M+K]+ 332.07958 167.5
[M+H-H2O]+ 276.11368 156.5
[M+HCOO]- 338.11462 188.5
[M+CH3COO]- 352.13027 177.1
[M+Na-2H]- 314.09109 170.1
[M]+ 293.11587 164.6
[M]- 293.11697 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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