CID 2512477

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

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H16N2O2/c1-12-8-9-15(13(2)10-12)17-16(18(21)22)11-20(19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22)
InChIKey
NYNBUAHSMOBRQL-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 169.2
[M+Na]+ 315.11042 184.5
[M+NH4]+ 310.15502 176.6
[M+K]+ 331.08436 179.2
[M-H]- 291.11392 173.8
[M+Na-2H]- 313.09587 178.4
[M]+ 292.12065 172.7
[M]- 292.12175 172.7
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.