CID 319155

2-phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone

Structural Information

Molecular Formula
C23H18N2O
SMILES
C1=CC=C(C=C1)C2=CC=NN2C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O/c26-23(20-14-8-3-9-15-20)22(19-12-6-2-7-13-19)25-21(16-17-24-25)18-10-4-1-5-11-18/h1-17,22H
InChIKey
MARNTTZITCGWBM-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-(5-phenylpyrazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1419 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14918 181.2
[M+Na]+ 361.13112 186.6
[M-H]- 337.13462 190.7
[M+NH4]+ 356.17572 191.9
[M+K]+ 377.10506 180.1
[M+H-H2O]+ 321.13916 169.6
[M+HCOO]- 383.14010 201.2
[M+CH3COO]- 397.15575 190.9
[M+Na-2H]- 359.11657 183.2
[M]+ 338.14135 179.4
[M]- 338.14245 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

literature stripe

Patent stripe

No patent data available for this compound.