CID 15074066

4-phenyl-3-(2-pyridyl)-1,2,4-oxadiazole-5-thione

Structural Information

Molecular Formula
C13H9N3OS
SMILES
C1=CC=C(C=C1)N2C(=NOC2=S)C3=CC=CC=N3
InChI
InChI=1S/C13H9N3OS/c18-13-16(10-6-2-1-3-7-10)12(15-17-13)11-8-4-5-9-14-11/h1-9H
InChIKey
GTPOJVJKODJXHM-UHFFFAOYSA-N
Compound name
4-phenyl-3-pyridin-2-yl-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04663 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05391 153.8
[M+Na]+ 278.03585 165.7
[M-H]- 254.03935 161.6
[M+NH4]+ 273.08045 168.0
[M+K]+ 294.00979 161.0
[M+H-H2O]+ 238.04389 145.2
[M+HCOO]- 300.04483 171.7
[M+CH3COO]- 314.06048 167.0
[M+Na-2H]- 276.02130 157.7
[M]+ 255.04608 156.7
[M]- 255.04718 156.7
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.