CID 2723601

6-thioguanine

Structural Information

Molecular Formula
C5H5N5S
SMILES
C1=NC2=C(N1)C(=S)N=C(N2)N
InChI
InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
WYWHKKSPHMUBEB-UHFFFAOYSA-N
Compound name
2-amino-3,7-dihydropurine-6-thione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3220
References

67291
Patents

167.02657 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03385 129.8
[M+Na]+ 190.01579 142.9
[M-H]- 166.01929 127.7
[M+NH4]+ 185.06039 147.4
[M+K]+ 205.98973 136.7
[M+H-H2O]+ 150.02383 123.5
[M+HCOO]- 212.02477 145.2
[M+CH3COO]- 226.04042 142.6
[M+Na-2H]- 188.00124 135.3
[M]+ 167.02602 128.7
[M]- 167.02712 128.7
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.