CID 2512457

3-(2,5-dimethoxyphenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4/c1-23-13-8-9-16(24-2)14(10-13)17-15(18(21)22)11-20(19-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)
InChIKey
XXPRPKAYBHGUQB-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 175.5
[M+Na]+ 347.10022 189.8
[M+NH4]+ 342.14482 181.6
[M+K]+ 363.07416 185.5
[M-H]- 323.10372 179.1
[M+Na-2H]- 345.08567 183.7
[M]+ 324.11045 178.5
[M]- 324.11155 178.5
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.