CID 126838623

6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
COC1=NN2C=C(C=NC2=C1)Br
InChI
InChI=1S/C7H6BrN3O/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,1H3
InChIKey
AYNNAKQRJCXWKD-UHFFFAOYSA-N
Compound name
6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.976696 135.2
[M+Na]+ 249.958638 150.7
[M-H]- 225.962144 139.8
[M+NH4]+ 245.003243 156.5
[M+K]+ 265.932578 140.3
[M+H-H2O]+ 209.966680 134.6
[M+HCOO]- 271.967621 156.6
[M+CH3COO]- 285.983271 151.5
[M+Na-2H]- 247.944086 145.6
[M]+ 226.96887142 157.7
[M]- 226.96996858 157.7
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.