CID 2064126

3-([1,1'-biphenyl]-4-yl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O/c25-16-20-15-24(21-9-5-2-6-10-21)23-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H
InChIKey
JSKTXJPVXSIUIE-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.12625 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 177.7
[M+Na]+ 347.11547 186.2
[M-H]- 323.11897 188.0
[M+NH4]+ 342.16007 189.9
[M+K]+ 363.08941 178.8
[M+H-H2O]+ 307.12351 166.3
[M+HCOO]- 369.12445 200.1
[M+CH3COO]- 383.14010 188.8
[M+Na-2H]- 345.10092 180.8
[M]+ 324.12570 177.5
[M]- 324.12680 177.5
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