CID 459099

3-(4-biphenylyl)-5-phenylisoxazole

Structural Information

Molecular Formula
C21H15NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21(23-22-20)19-9-5-2-6-10-19/h1-15H
InChIKey
NTWPSSLIIYSMAM-UHFFFAOYSA-N
Compound name
5-phenyl-3-(4-phenylphenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11536 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12264 169.1
[M+Na]+ 320.10458 177.3
[M-H]- 296.10808 181.4
[M+NH4]+ 315.14918 182.5
[M+K]+ 336.07852 172.1
[M+H-H2O]+ 280.11262 159.2
[M+HCOO]- 342.11356 192.3
[M+CH3COO]- 356.12921 181.3
[M+Na-2H]- 318.09003 174.2
[M]+ 297.11481 169.2
[M]- 297.11591 169.2
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.