CID 522928

2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C18H12N2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKey
PNPLRTWSLDSFET-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1726
Patents

272.09497 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.102246 160.6
[M+Na]+ 295.084188 171.2
[M-H]- 271.087694 170.0
[M+NH4]+ 290.128793 175.1
[M+K]+ 311.058128 166.1
[M+H-H2O]+ 255.092230 150.8
[M+HCOO]- 317.093171 183.4
[M+CH3COO]- 331.108821 173.5
[M+Na-2H]- 293.069636 168.8
[M]+ 272.09442142 163.0
[M]- 272.09551858 163.0
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