CID 876834

371776-57-7

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O2/c25-22(26)20-15-24(19-9-5-2-6-10-19)23-21(20)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H,25,26)
InChIKey
PGXDNXZAXCIRCM-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-phenylphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.1212 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 180.4
[M+Na]+ 363.11042 187.9
[M-H]- 339.11392 189.7
[M+NH4]+ 358.15502 191.1
[M+K]+ 379.08436 181.0
[M+H-H2O]+ 323.11846 169.5
[M+HCOO]- 385.11940 200.6
[M+CH3COO]- 399.13505 190.6
[M+Na-2H]- 361.09587 182.3
[M]+ 340.12065 179.4
[M]- 340.12175 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe