CID 2121161

3-(4-methoxyphenyl)-1-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-22-14-9-7-12(8-10-14)15-11-16(17(20)21)19(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKey
YTJXONHYADVNTC-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

294.10043 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 167.9
[M+Na]+ 317.08965 182.5
[M+NH4]+ 312.13425 174.8
[M+K]+ 333.06359 177.7
[M-H]- 293.09315 171.9
[M+Na-2H]- 315.07510 177.0
[M]+ 294.09988 171.1
[M]- 294.10098 171.1
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.