CID 3064499

2-amino-6-methylthio-7-methylpurine

Structural Information

Molecular Formula
C7H9N5S
SMILES
CN1C=NC2=C1C(=NC(=N2)N)SC
InChI
InChI=1S/C7H9N5S/c1-12-3-9-5-4(12)6(13-2)11-7(8)10-5/h3H,1-2H3,(H2,8,10,11)
InChIKey
JFCFEJWSAMZHGT-UHFFFAOYSA-N
Compound name
7-methyl-6-methylsulfanylpurin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05786 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 139.5
[M+Na]+ 218.04708 152.9
[M+NH4]+ 213.09168 147.4
[M+K]+ 234.02102 146.9
[M-H]- 194.05058 140.4
[M+Na-2H]- 216.03253 144.9
[M]+ 195.05731 142.0
[M]- 195.05841 142.0
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.