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 179.4
[M+Na]+ 363.08709 189.3
[M-H]- 339.09059 187.1
[M+NH4]+ 358.13169 192.9
[M+K]+ 379.06103 182.9
[M+H-H2O]+ 323.09513 169.8
[M+HCOO]- 385.09607 196.4
[M+CH3COO]- 399.11172 190.8
[M+Na-2H]- 361.07254 179.8
[M]+ 340.09732 184.5
[M]- 340.09842 184.5
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.