CID 1491279

143212-83-3

Structural Information

Molecular Formula
C9H12N6OS
SMILES
CN(C)C(=O)CSC1=NC(=CC2=NC=NN21)N
InChI
InChI=1S/C9H12N6OS/c1-14(2)8(16)4-17-9-13-6(10)3-7-11-5-12-15(7)9/h3,5H,4,10H2,1-2H3
InChIKey
BEBCRPBNYSSXNT-UHFFFAOYSA-N
Compound name
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07933 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08661 152.8
[M+Na]+ 275.06855 163.5
[M+NH4]+ 270.11315 159.1
[M+K]+ 291.04249 159.2
[M-H]- 251.07205 153.2
[M+Na-2H]- 273.05400 157.3
[M]+ 252.07878 154.5
[M]- 252.07988 154.5
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.