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 179.0
[M+Na]+ 357.12096 185.6
[M-H]- 333.12446 186.2
[M+NH4]+ 352.16556 190.9
[M+K]+ 373.09490 181.2
[M+H-H2O]+ 317.12900 168.7
[M+HCOO]- 379.12994 199.7
[M+CH3COO]- 393.14559 208.8
[M+Na-2H]- 355.10641 179.8
[M]+ 334.13119 181.5
[M]- 334.13229 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.