CID 3061057

2-(2-(4-methoxyphenyl)-1-phenylethyl)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C23H20N2O2
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O2/c1-26-20-14-12-17(13-15-20)16-21(18-8-4-2-5-9-18)23-25-24-22(27-23)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKey
OBHRARZDSPSZCK-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-1-phenylethyl]-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15247 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15975 185.7
[M+Na]+ 379.14169 192.2
[M-H]- 355.14519 196.2
[M+NH4]+ 374.18629 194.9
[M+K]+ 395.11563 187.5
[M+H-H2O]+ 339.14973 174.1
[M+HCOO]- 401.15067 205.9
[M+CH3COO]- 415.16632 195.8
[M+Na-2H]- 377.12714 188.5
[M]+ 356.15192 187.5
[M]- 356.15302 187.5
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.