CID 15041342

An-410/12483004

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CCN1C(=NOC1=S)C2=CC=NC=C2
InChI
InChI=1S/C9H9N3OS/c1-2-12-8(11-13-9(12)14)7-3-5-10-6-4-7/h3-6H,2H2,1H3
InChIKey
DDXQMIVWZRICJS-UHFFFAOYSA-N
Compound name
4-ethyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 141.3
[M+Na]+ 230.03585 153.3
[M-H]- 206.03935 146.0
[M+NH4]+ 225.08045 157.9
[M+K]+ 246.00979 150.3
[M+H-H2O]+ 190.04389 133.8
[M+HCOO]- 252.04483 158.9
[M+CH3COO]- 266.06048 155.1
[M+Na-2H]- 228.02130 144.8
[M]+ 207.04608 145.3
[M]- 207.04718 145.3
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.