CID 673680

5-methyl-1,3-diphenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)
InChIKey
FWIYNXGMTSTQBJ-UHFFFAOYSA-N
Compound name
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

26
Patents

278.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.7
[M+Na]+ 301.09475 179.8
[M+NH4]+ 296.13935 172.2
[M+K]+ 317.06869 174.5
[M-H]- 277.09825 169.2
[M+Na-2H]- 299.08020 174.3
[M]+ 278.10498 168.2
[M]- 278.10608 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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