CID 3741885

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

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C17H13ClN2O3/c1-23-14-8-6-13(7-9-14)20-16(17(21)22)10-15(19-20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKey
UAIOEVXISNTUHQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06146 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 173.8
[M+Na]+ 351.05068 189.7
[M+NH4]+ 346.09528 181.0
[M+K]+ 367.02462 184.1
[M-H]- 327.05418 178.0
[M+Na-2H]- 349.03613 182.8
[M]+ 328.06091 177.6
[M]- 328.06201 177.6
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.