CID 5203865

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

Structural Information

Molecular Formula
C19H17FN2O2
SMILES
CCOC(=O)C1=CC(=NN1CC2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C19H17FN2O2/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
KIYLSXORQGQIGJ-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1274 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13468 175.4
[M+Na]+ 347.11662 183.7
[M-H]- 323.12012 181.6
[M+NH4]+ 342.16122 188.3
[M+K]+ 363.09056 178.4
[M+H-H2O]+ 307.12466 164.4
[M+HCOO]- 369.12560 196.1
[M+CH3COO]- 383.14125 207.5
[M+Na-2H]- 345.10207 176.5
[M]+ 324.12685 176.9
[M]- 324.12795 176.9
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.