CID 977145

3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-18(20(23)24)12-22(21-19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKey
CHTCDJSNOVPGOL-UHFFFAOYSA-N
Compound name
3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.7
[M+Na]+ 359.13662 194.3
[M+NH4]+ 354.18122 186.9
[M+K]+ 375.11056 189.7
[M-H]- 335.14012 184.4
[M+Na-2H]- 357.12207 188.7
[M]+ 336.14685 183.6
[M]- 336.14795 183.6
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.