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 2-phenacyl-5-phenylpyrazole-3-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]+ 335.13902 179.3
[M+Na]+ 357.12096 193.2
[M+NH4]+ 352.16556 185.7
[M+K]+ 373.09490 188.0
[M-H]- 333.12446 183.2
[M+Na-2H]- 355.10641 188.2
[M]+ 334.13119 182.3
[M]- 334.13229 182.3
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.