CID 49767572

1,2,4-triazolo[1,5-a]benzimidazole-2-thione

Structural Information

Molecular Formula
C8H6N4S
SMILES
C1=CC=C2C(=C1)NC3=NC(=S)NN23
InChI
InChI=1S/C8H6N4S/c13-8-10-7-9-5-3-1-2-4-6(5)12(7)11-8/h1-4H,(H2,9,10,11,13)
InChIKey
QXHHCHPBXMECBO-UHFFFAOYSA-N
Compound name
1,4-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

190.03131 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03859 135.7
[M+Na]+ 213.02053 151.1
[M-H]- 189.02403 135.9
[M+NH4]+ 208.06513 156.1
[M+K]+ 228.99447 144.9
[M+H-H2O]+ 173.02857 130.2
[M+HCOO]- 235.02951 152.3
[M+CH3COO]- 249.04516 149.7
[M+Na-2H]- 211.00598 141.0
[M]+ 190.03076 139.0
[M]- 190.03186 139.0
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.