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]+ 167.03859 129.4
[M+Na]+ 189.02053 141.9
[M-H]- 165.02403 128.4
[M+NH4]+ 184.06513 148.3
[M+K]+ 204.99447 135.7
[M+H-H2O]+ 149.02857 123.5
[M+HCOO]- 211.02951 145.8
[M+CH3COO]- 225.04516 142.5
[M+Na-2H]- 187.00598 134.6
[M]+ 166.03076 128.1
[M]- 166.03186 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.