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]+ 331.155346 176.2
[M+Na]+ 353.137288 186.0
[M-H]- 329.140794 185.0
[M+NH4]+ 348.181893 187.6
[M+K]+ 369.111228 179.6
[M+H-H2O]+ 313.145330 164.4
[M+HCOO]- 375.146271 198.7
[M+CH3COO]- 389.161921 187.5
[M+Na-2H]- 351.122736 178.3
[M]+ 330.14752142 179.5
[M]- 330.14861858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.