CID 3000241

Dtxsid9025538

Structural Information

Molecular Formula
C5H6N4S
SMILES
C1=NC2C(N1)C(=S)NC=N2
InChI
InChI=1S/C5H6N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-4H,(H,6,7)(H,8,9,10)
InChIKey
GLYGRBPLZURLDD-UHFFFAOYSA-N
Compound name
1,4,5,7-tetrahydropurine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

154.03131 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03859 130.4
[M+Na]+ 177.02053 141.2
[M+NH4]+ 172.06513 138.1
[M+K]+ 192.99447 135.8
[M-H]- 153.02403 129.3
[M+Na-2H]- 175.00598 133.5
[M]+ 154.03076 131.7
[M]- 154.03186 131.7
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

No patent data available for this compound.