CID 3033663

5-(p-methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NNC(=S)O3
InChI
InChI=1S/C17H16N2O2S/c1-20-14-9-7-12(8-10-14)11-15(13-5-3-2-4-6-13)16-18-19-17(22)21-16/h2-10,15H,11H2,1H3,(H,19,22)
InChIKey
ZYMIORGDSOOMQR-UHFFFAOYSA-N
Compound name
5-[2-(4-methoxyphenyl)-1-phenylethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09326 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 170.4
[M+Na]+ 335.08248 185.1
[M+NH4]+ 330.12708 178.1
[M+K]+ 351.05642 177.7
[M-H]- 311.08598 176.3
[M+Na-2H]- 333.06793 179.0
[M]+ 312.09271 174.7
[M]- 312.09381 174.7
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.