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]+ 327.149176 177.5
[M+Na]+ 349.131118 183.8
[M-H]- 325.134624 187.7
[M+NH4]+ 344.175723 187.8
[M+K]+ 365.105058 178.5
[M+H-H2O]+ 309.139160 166.2
[M+HCOO]- 371.140101 197.9
[M+CH3COO]- 385.155751 187.9
[M+Na-2H]- 347.116566 181.5
[M]+ 326.14135142 177.2
[M]- 326.14244858 177.2
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.