CID 758273

26029-01-6

Structural Information

Molecular Formula
C9H10N4S
SMILES
CCN1C(=NNC1=S)C2=CC=NC=C2
InChI
InChI=1S/C9H10N4S/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,12,14)
InChIKey
ABRXECVGFQUVGO-UHFFFAOYSA-N
Compound name
4-ethyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

83
Patents

206.06262 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06990 142.9
[M+Na]+ 229.05184 154.5
[M-H]- 205.05534 144.2
[M+NH4]+ 224.09644 158.8
[M+K]+ 245.02578 148.9
[M+H-H2O]+ 189.05988 135.0
[M+HCOO]- 251.06082 158.3
[M+CH3COO]- 265.07647 155.3
[M+Na-2H]- 227.03729 145.3
[M]+ 206.06207 143.7
[M]- 206.06317 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe