CID 96728

852-37-9

Structural Information

Molecular Formula
C21H15NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H
InChIKey
RQGVWYIZAUHBBE-UHFFFAOYSA-N
Compound name
5-phenyl-2-(4-phenylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

297.11536 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12264 170.5
[M+Na]+ 320.10458 189.4
[M+NH4]+ 315.14918 180.6
[M+K]+ 336.07852 180.9
[M-H]- 296.10808 181.2
[M+Na-2H]- 318.09003 184.7
[M]+ 297.11481 176.7
[M]- 297.11591 176.7
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

patents stripe