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

2
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 129.9
[M+Na]+ 177.02053 139.8
[M-H]- 153.02403 126.7
[M+NH4]+ 172.06513 147.9
[M+K]+ 192.99447 135.3
[M+H-H2O]+ 137.02857 123.3
[M+HCOO]- 199.02951 140.7
[M+CH3COO]- 213.04516 141.5
[M+Na-2H]- 175.00598 133.3
[M]+ 154.03076 125.8
[M]- 154.03186 125.8
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

patents stripe