CID 41673734

4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole

Structural Information

Molecular Formula
C20H18N4O
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CN3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3
InChIKey
CZOCKHTYPCJURT-UHFFFAOYSA-N
Compound name
4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 177.6
[M+Na]+ 353.13729 194.7
[M+NH4]+ 348.18189 185.1
[M+K]+ 369.11123 189.6
[M-H]- 329.14079 183.8
[M+Na-2H]- 351.12274 190.0
[M]+ 330.14752 182.0
[M]- 330.14862 182.0
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.