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]+ 357.159746 185.7
[M+Na]+ 379.141688 192.2
[M-H]- 355.145194 196.2
[M+NH4]+ 374.186293 194.9
[M+K]+ 395.115628 187.5
[M+H-H2O]+ 339.149730 174.1
[M+HCOO]- 401.150671 205.9
[M+CH3COO]- 415.166321 195.8
[M+Na-2H]- 377.127136 188.5
[M]+ 356.15192142 187.5
[M]- 356.15301858 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.