CID 2377173

381214-37-5

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=CC(=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-22-14-9-5-6-12(10-14)16-15(17(20)21)11-19(18-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
InChIKey
YUDUFBFUQOJLGG-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

294.10043 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.3
[M+Na]+ 317.08965 174.7
[M-H]- 293.09315 173.0
[M+NH4]+ 312.13425 179.6
[M+K]+ 333.06359 170.2
[M+H-H2O]+ 277.09769 156.9
[M+HCOO]- 339.09863 187.4
[M+CH3COO]- 353.11428 199.3
[M+Na-2H]- 315.07510 168.8
[M]+ 294.09988 167.8
[M]- 294.10098 167.8
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

patents stripe