CID 3012936

1-(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenyl-pyrazole

Structural Information

Molecular Formula
C25H19FN4
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)F)C(C4=CC=CC=C4)N5C=CN=C5
InChI
InChI=1S/C25H19FN4/c26-21-11-13-22(14-12-21)30-25(20-9-5-2-6-10-20)23(17-28-30)24(29-16-15-27-18-29)19-7-3-1-4-8-19/h1-18,24H
InChIKey
BAJKBYQAKUWLMC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.15936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16664 191.8
[M+Na]+ 417.14858 200.3
[M-H]- 393.15208 202.0
[M+NH4]+ 412.19318 199.7
[M+K]+ 433.12252 191.5
[M+H-H2O]+ 377.15662 177.9
[M+HCOO]- 439.15756 211.2
[M+CH3COO]- 453.17321 201.1
[M+Na-2H]- 415.13403 191.7
[M]+ 394.15881 191.3
[M]- 394.15991 191.3
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.