CID 62875046

5-(quinolin-6-yl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC2=C(C=CC(=C2)C3=NC(=S)NN3)N=C1
InChI
InChI=1S/C11H8N4S/c16-11-13-10(14-15-11)8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,(H2,13,14,15,16)
InChIKey
JMHFLCPKFIXEAX-UHFFFAOYSA-N
Compound name
5-quinolin-6-yl-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04697 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05425 146.5
[M+Na]+ 251.03619 162.4
[M+NH4]+ 246.08079 154.7
[M+K]+ 267.01013 154.7
[M-H]- 227.03969 148.9
[M+Na-2H]- 249.02164 154.9
[M]+ 228.04642 149.9
[M]- 228.04752 149.9
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.