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 177.5
[M+Na]+ 349.13112 183.8
[M-H]- 325.13462 187.7
[M+NH4]+ 344.17572 187.8
[M+K]+ 365.10506 178.5
[M+H-H2O]+ 309.13916 166.2
[M+HCOO]- 371.14010 197.9
[M+CH3COO]- 385.15575 187.9
[M+Na-2H]- 347.11657 181.5
[M]+ 326.14135 177.2
[M]- 326.14245 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.