CID 137952086

5-bromo-2-methanesulfinylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6BrN3OS
SMILES
CS(=O)C1=NC=C(C(=N1)N)Br
InChI
InChI=1S/C5H6BrN3OS/c1-11(10)5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey
PISKLKJRIGCXHL-UHFFFAOYSA-N
Compound name
5-bromo-2-methylsulfinylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9415 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94878 127.5
[M+Na]+ 257.93072 141.1
[M-H]- 233.93422 131.9
[M+NH4]+ 252.97532 147.0
[M+K]+ 273.90466 129.1
[M+H-H2O]+ 217.93876 126.9
[M+HCOO]- 279.93970 143.4
[M+CH3COO]- 293.95535 187.2
[M+Na-2H]- 255.91617 133.5
[M]+ 234.94095 146.9
[M]- 234.94205 146.9
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.