CID 70065

852-38-0

Structural Information

Molecular Formula
C20H14N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
InChIKey
WMAXWOOEPJQXEB-UHFFFAOYSA-N
Compound name
2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1238
Patents

298.11063 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11791 170.0
[M+Na]+ 321.09985 188.8
[M+NH4]+ 316.14445 179.3
[M+K]+ 337.07379 180.8
[M-H]- 297.10335 179.8
[M+Na-2H]- 319.08530 183.9
[M]+ 298.11008 175.9
[M]- 298.11118 175.9
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