CID 3061056

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

Structural Information

Molecular Formula
C22H18N2O
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)22-24-23-21(25-22)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKey
YADJLYXPTKQNBL-UHFFFAOYSA-N
Compound name
2-(1,2-diphenylethyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1419 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14918 178.7
[M+Na]+ 349.13112 196.3
[M+NH4]+ 344.17572 187.5
[M+K]+ 365.10506 188.5
[M-H]- 325.13462 188.2
[M+Na-2H]- 347.11657 192.0
[M]+ 326.14135 184.2
[M]- 326.14245 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.