CID 4381557

Ethyl 1-(2-oxo-2-phenylethyl)-3-phenyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O3/c1-2-25-20(24)18-13-17(15-9-5-3-6-10-15)21-22(18)14-19(23)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKey
RXWKKVODGOYUKQ-UHFFFAOYSA-N
Compound name
ethyl 1-phenacyl-3-phenylpyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13174 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.139016 179.0
[M+Na]+ 357.120958 185.6
[M-H]- 333.124464 186.2
[M+NH4]+ 352.165563 190.9
[M+K]+ 373.094898 181.2
[M+H-H2O]+ 317.129000 168.7
[M+HCOO]- 379.129941 199.7
[M+CH3COO]- 393.145591 208.8
[M+Na-2H]- 355.106406 179.8
[M]+ 334.13119142 181.5
[M]- 334.13228858 181.5
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

No patent data available for this compound.