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]+ 313.100536 170.9
[M+Na]+ 335.082478 179.7
[M-H]- 311.085984 178.1
[M+NH4]+ 330.127083 183.1
[M+K]+ 351.056418 174.6
[M+H-H2O]+ 295.090520 162.5
[M+HCOO]- 357.091461 186.4
[M+CH3COO]- 371.107111 182.0
[M+Na-2H]- 333.067926 171.7
[M]+ 312.09271142 173.6
[M]- 312.09380858 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.