CID 3113817

Riamilovir

Structural Information

Molecular Formula
C5H4N6O3S
SMILES
CSC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]
InChI
InChI=1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)
InChIKey
IDVQGNMSSHPZSJ-UHFFFAOYSA-N
Compound name
7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

285
Patents

228.00656 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.013836 140.5
[M+Na]+ 250.995778 153.0
[M-H]- 226.999284 139.6
[M+NH4]+ 246.040383 154.3
[M+K]+ 266.969718 144.6
[M+H-H2O]+ 211.003820 137.7
[M+HCOO]- 273.004761 156.8
[M+CH3COO]- 287.020411 178.1
[M+Na-2H]- 248.981226 148.9
[M]+ 228.00601142 142.4
[M]- 228.00710858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe