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

9
Patents

340.1212 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.128476 180.4
[M+Na]+ 363.110418 187.9
[M-H]- 339.113924 189.7
[M+NH4]+ 358.155023 191.1
[M+K]+ 379.084358 181.0
[M+H-H2O]+ 323.118460 169.5
[M+HCOO]- 385.119401 200.6
[M+CH3COO]- 399.135051 190.6
[M+Na-2H]- 361.095866 182.3
[M]+ 340.12065142 179.4
[M]- 340.12174858 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