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

0
Patents

195.04663 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 137.6
[M+Na]+ 218.03585 150.6
[M-H]- 194.03935 141.5
[M+NH4]+ 213.08045 157.2
[M+K]+ 234.00979 148.0
[M+H-H2O]+ 178.04389 131.6
[M+HCOO]- 240.04483 156.8
[M+CH3COO]- 254.06048 152.3
[M+Na-2H]- 216.02130 142.6
[M]+ 195.04608 143.1
[M]- 195.04718 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.