CID 685858

74087-90-4

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O2S/c19-14(12-7-3-1-4-8-12)11-21-16-18-17-15(20-16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
WZRWOAOTPYJTJE-UHFFFAOYSA-N
Compound name
1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.06195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 165.9
[M+Na]+ 319.05117 174.8
[M-H]- 295.05467 174.3
[M+NH4]+ 314.09577 179.2
[M+K]+ 335.02511 170.9
[M+H-H2O]+ 279.05921 157.2
[M+HCOO]- 341.06015 183.3
[M+CH3COO]- 355.07580 177.8
[M+Na-2H]- 317.03662 168.3
[M]+ 296.06140 169.7
[M]- 296.06250 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.