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 134.2
[M+Na]+ 206.01070 147.7
[M-H]- 182.01420 131.1
[M+NH4]+ 201.05530 150.5
[M+K]+ 221.98464 140.5
[M+H-H2O]+ 166.01874 128.4
[M+HCOO]- 228.01968 148.4
[M+CH3COO]- 242.03533 146.4
[M+Na-2H]- 203.99615 138.5
[M]+ 183.02093 132.3
[M]- 183.02203 132.3
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.