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 153.4
[M+Na]+ 275.06855 164.1
[M-H]- 251.07205 155.0
[M+NH4]+ 270.11315 169.0
[M+K]+ 291.04249 161.1
[M+H-H2O]+ 235.07659 145.2
[M+HCOO]- 297.07753 171.1
[M+CH3COO]- 311.09318 199.6
[M+Na-2H]- 273.05400 157.2
[M]+ 252.07878 158.4
[M]- 252.07988 158.4
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.