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]+ 227.97670 135.2
[M+Na]+ 249.95864 150.7
[M-H]- 225.96214 139.8
[M+NH4]+ 245.00324 156.5
[M+K]+ 265.93258 140.3
[M+H-H2O]+ 209.96668 134.6
[M+HCOO]- 271.96762 156.6
[M+CH3COO]- 285.98327 151.5
[M+Na-2H]- 247.94409 145.6
[M]+ 226.96887 157.7
[M]- 226.96997 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.