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 176.2
[M+Na]+ 353.13729 186.0
[M-H]- 329.14079 185.0
[M+NH4]+ 348.18189 187.6
[M+K]+ 369.11123 179.6
[M+H-H2O]+ 313.14533 164.4
[M+HCOO]- 375.14627 198.7
[M+CH3COO]- 389.16192 187.5
[M+Na-2H]- 351.12274 178.3
[M]+ 330.14752 179.5
[M]- 330.14862 179.5
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.