CID 1491851

Brn 5853896

Structural Information

Molecular Formula
C8H9N5O2S
SMILES
COC(=O)CSC1=NC(=CC2=NC=NN21)N
InChI
InChI=1S/C8H9N5O2S/c1-15-7(14)3-16-8-12-5(9)2-6-10-4-11-13(6)8/h2,4H,3,9H2,1H3
InChIKey
VDDHNXUYSUJVRU-UHFFFAOYSA-N
Compound name
methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0477 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05498 149.5
[M+Na]+ 262.03692 161.0
[M+NH4]+ 257.08152 155.6
[M+K]+ 278.01086 156.4
[M-H]- 238.04042 148.9
[M+Na-2H]- 260.02237 153.6
[M]+ 239.04715 151.1
[M]- 239.04825 151.1
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.