CID 16075335

917461-46-2

Structural Information

Molecular Formula
C17H12N4OS
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C3=NNC(=S)O3)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4OS/c23-17-19-18-16(22-17)14-11-21(13-9-5-2-6-10-13)20-15(14)12-7-3-1-4-8-12/h1-11H,(H,19,23)
InChIKey
MBTYARMQFJKYNM-UHFFFAOYSA-N
Compound name
5-(1,3-diphenylpyrazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07318 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08046 170.7
[M+Na]+ 343.06240 183.8
[M-H]- 319.06590 180.2
[M+NH4]+ 338.10700 182.1
[M+K]+ 359.03634 177.0
[M+H-H2O]+ 303.07044 162.0
[M+HCOO]- 365.07138 188.2
[M+CH3COO]- 379.08703 182.9
[M+Na-2H]- 341.04785 171.3
[M]+ 320.07263 174.0
[M]- 320.07373 174.0
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.