CID 1491850

Brn 5818257

Structural Information

Molecular Formula
C7H8N6OS
SMILES
C1=C(N=C(N2C1=NC=N2)SCC(=O)N)N
InChI
InChI=1S/C7H8N6OS/c8-4-1-6-10-3-11-13(6)7(12-4)15-2-5(9)14/h1,3H,2,8H2,(H2,9,14)
InChIKey
XQTKQOQVTWWPDE-UHFFFAOYSA-N
Compound name
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.04803 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05531 143.8
[M+Na]+ 247.03725 155.3
[M-H]- 223.04075 143.7
[M+NH4]+ 242.08185 159.5
[M+K]+ 263.01119 151.0
[M+H-H2O]+ 207.04529 136.1
[M+HCOO]- 269.04623 161.1
[M+CH3COO]- 283.06188 156.0
[M+Na-2H]- 245.02270 148.2
[M]+ 224.04748 146.0
[M]- 224.04858 146.0
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.