CID 83895844

5-bromo-4,6-dimethoxypyrimidin-2-amine

Structural Information

Molecular Formula
C6H8BrN3O2
SMILES
COC1=C(C(=NC(=N1)N)OC)Br
InChI
InChI=1S/C6H8BrN3O2/c1-11-4-3(7)5(12-2)10-6(8)9-4/h1-2H3,(H2,8,9,10)
InChIKey
YZOYBYHBEOBORE-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

232.98 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.98728 136.4
[M+Na]+ 255.96922 149.6
[M-H]- 231.97272 140.5
[M+NH4]+ 251.01382 155.4
[M+K]+ 271.94316 139.3
[M+H-H2O]+ 215.97726 134.9
[M+HCOO]- 277.97820 157.6
[M+CH3COO]- 291.99385 189.5
[M+Na-2H]- 253.95467 144.5
[M]+ 232.97945 156.9
[M]- 232.98055 156.9
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

patents stripe