CID 3088765

Brn 5953894

Structural Information

Molecular Formula
C9H11N5OS
SMILES
CCN1C2=CC(=NC(=S)N2N=C(C1=O)C)N
InChI
InChI=1S/C9H11N5OS/c1-3-13-7-4-6(10)11-9(16)14(7)12-5(2)8(13)15/h4H,3H2,1-2H3,(H2,10,11,16)
InChIKey
TVGYNZCBZOOUBS-UHFFFAOYSA-N
Compound name
8-amino-1-ethyl-3-methyl-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06844 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07572 152.4
[M+Na]+ 260.05766 166.7
[M+NH4]+ 255.10226 159.0
[M+K]+ 276.03160 158.8
[M-H]- 236.06116 153.1
[M+Na-2H]- 258.04311 157.0
[M]+ 237.06789 155.0
[M]- 237.06899 155.0
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.