CID 45789781

5-bromo-2-methoxypyrimidin-4-amine

Structural Information

Molecular Formula
C5H6BrN3O
SMILES
COC1=NC=C(C(=N1)N)Br
InChI
InChI=1S/C5H6BrN3O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey
OFKKQTPLZJNGOF-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

202.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.976696 129.5
[M+Na]+ 225.958638 142.6
[M-H]- 201.962144 133.5
[M+NH4]+ 221.003243 149.6
[M+K]+ 241.932578 132.0
[M+H-H2O]+ 185.966680 128.4
[M+HCOO]- 247.967621 151.0
[M+CH3COO]- 261.983271 183.6
[M+Na-2H]- 223.944086 138.9
[M]+ 202.96887142 148.1
[M]- 202.96996858 148.1
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

patents stripe