CID 1500068

Brn 5853895

Structural Information

Molecular Formula
C8H10N6OS
SMILES
CNC(=O)CSC1=NC(=CC2=NC=NN21)N
InChI
InChI=1S/C8H10N6OS/c1-10-7(15)3-16-8-13-5(9)2-6-11-4-12-14(6)8/h2,4H,3,9H2,1H3,(H,10,15)
InChIKey
MUDZAJNCDBVDME-UHFFFAOYSA-N
Compound name
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06367 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07095 148.4
[M+Na]+ 261.05289 159.4
[M-H]- 237.05639 148.6
[M+NH4]+ 256.09749 163.9
[M+K]+ 277.02683 155.3
[M+H-H2O]+ 221.06093 140.5
[M+HCOO]- 283.06187 166.0
[M+CH3COO]- 297.07752 160.4
[M+Na-2H]- 259.03834 153.3
[M]+ 238.06312 151.8
[M]- 238.06422 151.8
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.