CID 3050492

Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(methylthio)-, monohydrobromide

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CC1=COC2=NC(=NC(=C12)N)SC
InChI
InChI=1S/C8H9N3OS/c1-4-3-12-7-5(4)6(9)10-8(11-7)13-2/h3H,1-2H3,(H2,9,10,11)
InChIKey
HOFQRXHCSWROBG-UHFFFAOYSA-N
Compound name
5-methyl-2-methylsulfanylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.04663 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.6
[M+Na]+ 218.035848 150.6
[M-H]- 194.039354 141.5
[M+NH4]+ 213.080453 157.2
[M+K]+ 234.009788 148.0
[M+H-H2O]+ 178.043890 131.6
[M+HCOO]- 240.044831 156.8
[M+CH3COO]- 254.060481 152.3
[M+Na-2H]- 216.021296 142.6
[M]+ 195.04608142 143.1
[M]- 195.04717858 143.1
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.