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]+ 302.128796 166.8
[M+Na]+ 324.110738 175.3
[M-H]- 300.114244 177.1
[M+NH4]+ 319.155343 178.9
[M+K]+ 340.084678 170.9
[M+H-H2O]+ 284.118780 156.3
[M+HCOO]- 346.119721 189.2
[M+CH3COO]- 360.135371 178.7
[M+Na-2H]- 322.096186 170.4
[M]+ 301.12097142 168.6
[M]- 301.12206858 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.