CID 168750

2,4-diphenyloxazole

Structural Information

Molecular Formula
C15H11NO
SMILES
C1=CC=C(C=C1)C2=COC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-11H
InChIKey
VUPXKQHLZATXTR-UHFFFAOYSA-N
Compound name
2,4-diphenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1216
Patents

221.08406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09134 148.2
[M+Na]+ 244.07328 165.1
[M+NH4]+ 239.11788 158.2
[M+K]+ 260.04722 158.2
[M-H]- 220.07678 156.3
[M+Na-2H]- 242.05873 160.4
[M]+ 221.08351 153.2
[M]- 221.08461 153.2
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