CID 49767573

2-(methylsulfanyl)-3h-1,2,4-triazolo[1,5-a]benzimidazole

Structural Information

Molecular Formula
C9H8N4S
SMILES
CSC1=NC2=NC3=CC=CC=C3N2N1
InChI
InChI=1S/C9H8N4S/c1-14-9-11-8-10-6-4-2-3-5-7(6)13(8)12-9/h2-5H,1H3,(H,10,11,12)
InChIKey
BVCKDHJIPDJURT-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.04697 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05425 139.9
[M+Na]+ 227.03619 154.9
[M-H]- 203.03969 141.2
[M+NH4]+ 222.08079 160.4
[M+K]+ 243.01013 150.0
[M+H-H2O]+ 187.04423 133.8
[M+HCOO]- 249.04517 157.4
[M+CH3COO]- 263.06082 154.1
[M+Na-2H]- 225.02164 145.1
[M]+ 204.04642 145.9
[M]- 204.04752 145.9
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

No patent data available for this compound.