CID 508511

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

Structural Information

Molecular Formula
C19H15N3O
SMILES
C1=CC=C(C=C1)C2=C(C=NO2)C(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C19H15N3O/c1-3-7-15(8-4-1)18(22-12-11-20-14-22)17-13-21-23-19(17)16-9-5-2-6-10-16/h1-14,18H
InChIKey
HWNYRMWOYGQNQZ-UHFFFAOYSA-N
Compound name
4-[imidazol-1-yl(phenyl)methyl]-5-phenyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 166.8
[M+Na]+ 324.11074 175.3
[M-H]- 300.11424 177.1
[M+NH4]+ 319.15534 178.9
[M+K]+ 340.08468 170.9
[M+H-H2O]+ 284.11878 156.3
[M+HCOO]- 346.11972 189.2
[M+CH3COO]- 360.13537 178.7
[M+Na-2H]- 322.09619 170.4
[M]+ 301.12097 168.6
[M]- 301.12207 168.6
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.