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]+ 283.089946 162.7
[M+Na]+ 305.071888 171.4
[M-H]- 281.075394 169.7
[M+NH4]+ 300.116493 176.0
[M+K]+ 321.045828 166.0
[M+H-H2O]+ 265.079930 154.5
[M+HCOO]- 327.080871 178.4
[M+CH3COO]- 341.096521 174.2
[M+Na-2H]- 303.057336 164.7
[M]+ 282.08212142 163.4
[M]- 282.08321858 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.