CID 3712784

Ethyl 1-(4-chlorobenzyl)-3-phenyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
CCOC(=O)C1=CC(=NN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H17ClN2O2/c1-2-24-19(23)18-12-17(15-6-4-3-5-7-15)21-22(18)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
InChIKey
MBUXRFNLZCQKJX-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.09787 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 179.6
[M+Na]+ 363.08709 195.7
[M+NH4]+ 358.13169 187.3
[M+K]+ 379.06103 188.6
[M-H]- 339.09059 184.5
[M+Na-2H]- 361.07254 189.3
[M]+ 340.09732 183.7
[M]- 340.09842 183.7
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.