CID 3000245

6-thio-3-deazaguanine

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=C(NC(=S)C2=C1NC=N2)N
InChI
InChI=1S/C6H6N4S/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)
InChIKey
JUAWPPZVIAZKEK-UHFFFAOYSA-N
Compound name
6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

166.03131 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.038586 129.4
[M+Na]+ 189.020528 141.9
[M-H]- 165.024034 128.4
[M+NH4]+ 184.065133 148.3
[M+K]+ 204.994468 135.7
[M+H-H2O]+ 149.028570 123.5
[M+HCOO]- 211.029511 145.8
[M+CH3COO]- 225.045161 142.5
[M+Na-2H]- 187.005976 134.6
[M]+ 166.03076142 128.1
[M]- 166.03185858 128.1
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.