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 138.8
[M+Na]+ 218.04708 152.5
[M-H]- 194.05058 139.5
[M+NH4]+ 213.09168 157.0
[M+K]+ 234.02102 148.1
[M+H-H2O]+ 178.05512 131.7
[M+HCOO]- 240.05606 156.3
[M+CH3COO]- 254.07171 152.4
[M+Na-2H]- 216.03253 143.4
[M]+ 195.05731 143.0
[M]- 195.05841 143.0
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.