CID 3061064

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

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3=NNC(=S)O3
InChI
InChI=1S/C17H16N2O2S/c1-20-14-9-7-13(8-10-14)15(16-18-19-17(22)21-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,19,22)
InChIKey
ZZORDLCAHZERDN-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)-2-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 170.9
[M+Na]+ 335.08248 179.7
[M-H]- 311.08598 178.1
[M+NH4]+ 330.12708 183.1
[M+K]+ 351.05642 174.6
[M+H-H2O]+ 295.09052 162.5
[M+HCOO]- 357.09146 186.4
[M+CH3COO]- 371.10711 182.0
[M+Na-2H]- 333.06793 171.7
[M]+ 312.09271 173.6
[M]- 312.09381 173.6
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.