CID 49767574

1-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethanone

Structural Information

Molecular Formula
C11H10N4OS
SMILES
CC(=O)N1C2=NC3=CC=CC=C3N2N=C1SC
InChI
InChI=1S/C11H10N4OS/c1-7(16)14-10-12-8-5-3-4-6-9(8)15(10)13-11(14)17-2/h3-6H,1-2H3
InChIKey
AKWPACQLIYDIAP-UHFFFAOYSA-N
Compound name
1-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.05753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 153.2
[M+Na]+ 269.04675 168.2
[M-H]- 245.05025 156.1
[M+NH4]+ 264.09135 172.7
[M+K]+ 285.02069 164.0
[M+H-H2O]+ 229.05479 146.8
[M+HCOO]- 291.05573 170.7
[M+CH3COO]- 305.07138 167.1
[M+Na-2H]- 267.03220 156.0
[M]+ 246.05698 162.0
[M]- 246.05808 162.0
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.