CID 3689033

3-(2-methoxyphenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=CC=C1C2=NN(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-22-15-10-6-5-9-13(15)16-14(17(20)21)11-19(18-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,21)
InChIKey
RTEVZNAZCXZANB-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

3.1
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.