CID 3088766

Brn 5958707

Structural Information

Molecular Formula
C10H13N5OS
SMILES
CCCN1C2=CC(=NC(=S)N2N=C(C1=O)C)N
InChI
InChI=1S/C10H13N5OS/c1-3-4-14-8-5-7(11)12-10(17)15(8)13-6(2)9(14)16/h5H,3-4H2,1-2H3,(H2,11,12,17)
InChIKey
NHPXXGIXUASUCT-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-1-propyl-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

251.08408 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09136 156.7
[M+Na]+ 274.07330 170.8
[M+NH4]+ 269.11790 163.1
[M+K]+ 290.04724 162.6
[M-H]- 250.07680 157.4
[M+Na-2H]- 272.05875 161.1
[M]+ 251.08353 159.2
[M]- 251.08463 159.2
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.