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

80
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 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

literature stripe

Patent stripe

patents stripe