CID 10442362

8-hydroxythioguanine

Structural Information

Molecular Formula
C5H5N5OS
SMILES
C12=C(NC(=NC1=S)N)NC(=O)N2
InChI
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(12)10-4)7-5(11)9-2/h(H5,6,7,8,9,10,11,12)
InChIKey
TWLCFFLQLXBKAP-UHFFFAOYSA-N
Compound name
2-amino-6-sulfanylidene-7,9-dihydro-3H-purin-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

183.02148 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02876 134.3
[M+Na]+ 206.01070 145.9
[M+NH4]+ 201.05530 140.2
[M+K]+ 221.98464 141.7
[M-H]- 182.01420 132.7
[M+Na-2H]- 203.99615 137.6
[M]+ 183.02093 135.5
[M]- 183.02203 135.5
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.