CID 3088763

2-methyl-3-hydroxy-6-amino-8-thioxopyrimido(3,4-b)-1,2,4-triazine sodium salt

Structural Information

Molecular Formula
C7H9N5OS
SMILES
CC1C(=O)NC2=CC(=NC(=S)N2N1)N
InChI
InChI=1S/C7H9N5OS/c1-3-6(13)10-5-2-4(8)9-7(14)12(5)11-3/h2-3,11H,1H3,(H,10,13)(H2,8,9,14)
InChIKey
PJRFFOIPONCNLZ-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-6-sulfanylidene-3,4-dihydro-1H-pyrimido[1,6-b][1,2,4]triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05278 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06006 144.5
[M+Na]+ 234.04200 155.9
[M+NH4]+ 229.08660 150.6
[M+K]+ 250.01594 149.4
[M-H]- 210.04550 143.8
[M+Na-2H]- 232.02745 147.1
[M]+ 211.05223 146.0
[M]- 211.05333 146.0
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.