CID 24208961

Ethyl 1-(2,3-dimethylphenyl)-4-phenyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CCOC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=CC=CC(=C3C)C
InChI
InChI=1S/C20H20N2O2/c1-4-24-20(23)19-17(16-10-6-5-7-11-16)13-22(21-19)18-12-8-9-14(2)15(18)3/h5-13H,4H2,1-3H3
InChIKey
PHYCNCOATSRHAJ-UHFFFAOYSA-N
Compound name
ethyl 1-(2,3-dimethylphenyl)-4-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.0
[M+Na]+ 343.14169 185.7
[M-H]- 319.14519 184.8
[M+NH4]+ 338.18629 190.4
[M+K]+ 359.11563 180.7
[M+H-H2O]+ 303.14973 167.1
[M+HCOO]- 365.15067 198.4
[M+CH3COO]- 379.16632 209.0
[M+Na-2H]- 341.12714 177.4
[M]+ 320.15192 180.3
[M]- 320.15302 180.3
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.