CID 97243

5-hexylthio-6-azauracil

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CCCCCCSC1C(=O)NC(=O)N=N1
InChI
InChI=1S/C9H15N3O2S/c1-2-3-4-5-6-15-8-7(13)10-9(14)12-11-8/h8H,2-6H2,1H3,(H,10,13,14)
InChIKey
FEUAZRCTHMGLEO-UHFFFAOYSA-N
Compound name
6-hexylsulfanyl-6H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 153.2
[M+Na]+ 252.07772 163.3
[M+NH4]+ 247.12232 158.9
[M+K]+ 268.05166 155.7
[M-H]- 228.08122 151.8
[M+Na-2H]- 250.06317 155.4
[M]+ 229.08795 154.3
[M]- 229.08905 154.3
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.