CID 3012922

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

Structural Information

Molecular Formula
C25H20N4
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C(C4=CC=CC=C4)N5C=CN=C5
InChI
InChI=1S/C25H20N4/c1-4-10-20(11-5-1)24(28-17-16-26-19-28)23-18-27-29(22-14-8-3-9-15-22)25(23)21-12-6-2-7-13-21/h1-19,24H
InChIKey
YLBFPIYXAWBZAL-UHFFFAOYSA-N
Compound name
4-[imidazol-1-yl(phenyl)methyl]-1,5-diphenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.1688 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17608 188.3
[M+Na]+ 399.15802 195.9
[M-H]- 375.16152 199.4
[M+NH4]+ 394.20262 196.7
[M+K]+ 415.13196 187.6
[M+H-H2O]+ 359.16606 175.1
[M+HCOO]- 421.16700 208.8
[M+CH3COO]- 435.18265 197.8
[M+Na-2H]- 397.14347 189.5
[M]+ 376.16825 188.1
[M]- 376.16935 188.1
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.