CID 84690923

3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C7H7BrN4
SMILES
CC1=NC2=C(C=NN2C(=C1)N)Br
InChI
InChI=1S/C7H7BrN4/c1-4-2-6(9)12-7(11-4)5(8)3-10-12/h2-3H,9H2,1H3
InChIKey
KJEWRAXASMTPPX-UHFFFAOYSA-N
Compound name
3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98541 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99269 136.9
[M+Na]+ 248.97463 152.4
[M-H]- 224.97813 141.3
[M+NH4]+ 244.01923 157.9
[M+K]+ 264.94857 140.7
[M+H-H2O]+ 208.98267 135.8
[M+HCOO]- 270.98361 158.4
[M+CH3COO]- 284.99926 152.8
[M+Na-2H]- 246.96008 145.9
[M]+ 225.98486 156.7
[M]- 225.98596 156.7
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.