CID 80885848

5-bromo-4-(methylthio)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H6BrN3S
SMILES
CSC1=NC(=NC=C1Br)N
InChI
InChI=1S/C5H6BrN3S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKey
ULNSBVYZVPNNPI-UHFFFAOYSA-N
Compound name
5-bromo-4-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.94658 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95386 124.8
[M+Na]+ 241.93580 138.7
[M-H]- 217.93930 129.1
[M+NH4]+ 236.98040 145.1
[M+K]+ 257.90974 126.4
[M+H-H2O]+ 201.94384 124.4
[M+HCOO]- 263.94478 141.3
[M+CH3COO]- 277.96043 185.2
[M+Na-2H]- 239.92125 131.8
[M]+ 218.94603 144.2
[M]- 218.94713 144.2
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.