CID 135755571

Brn 2976102

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=CC(=C(C=C1N)O)C2=NC(=S)NN2
InChI
InChI=1S/C8H8N4OS/c9-4-1-2-5(6(13)3-4)7-10-8(14)12-11-7/h1-3,13H,9H2,(H2,10,11,12,14)
InChIKey
CHYXLBDFWMCOCK-UHFFFAOYSA-N
Compound name
5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04189 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 142.5
[M+Na]+ 231.03111 153.8
[M+NH4]+ 226.07571 149.0
[M+K]+ 247.00505 149.2
[M-H]- 207.03461 143.5
[M+Na-2H]- 229.01656 147.7
[M]+ 208.04134 144.5
[M]- 208.04244 144.5
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.