CID 3033662

78613-11-3

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NNC(=S)O3
InChI
InChI=1S/C16H14N2OS/c20-16-18-17-15(19-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20)
InChIKey
FBZSIURATGNLQS-UHFFFAOYSA-N
Compound name
5-(1,2-diphenylethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08267 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 162.7
[M+Na]+ 305.07189 171.4
[M-H]- 281.07539 169.7
[M+NH4]+ 300.11649 176.0
[M+K]+ 321.04583 166.0
[M+H-H2O]+ 265.07993 154.5
[M+HCOO]- 327.08087 178.4
[M+CH3COO]- 341.09652 174.2
[M+Na-2H]- 303.05734 164.7
[M]+ 282.08212 163.4
[M]- 282.08322 163.4
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.