CID 24212701

Ethyl 1-(5-chloro-2-methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)C
InChI
InChI=1S/C19H17ClN2O2/c1-3-24-19(23)16-12-22(17-11-15(20)10-9-13(17)2)21-18(16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKey
NRFXLSPJHPSINU-UHFFFAOYSA-N
Compound name
ethyl 1-(5-chloro-2-methylphenyl)-3-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09787 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 179.5
[M+Na]+ 363.08709 196.0
[M+NH4]+ 358.13169 187.3
[M+K]+ 379.06103 189.1
[M-H]- 339.09059 184.6
[M+Na-2H]- 361.07254 189.0
[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.

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No literature data available for this compound.

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No patent data available for this compound.