CID 11253489

3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C8H9BrN4
SMILES
CC1=NC2=C(C(=NN2C(=C1)N)C)Br
InChI
InChI=1S/C8H9BrN4/c1-4-3-6(10)13-8(11-4)7(9)5(2)12-13/h3H,10H2,1-2H3
InChIKey
OPLCBFAUDSFRDA-UHFFFAOYSA-N
Compound name
3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00105 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00833 141.8
[M+Na]+ 262.99027 157.7
[M-H]- 238.99377 146.3
[M+NH4]+ 258.03487 162.6
[M+K]+ 278.96421 145.7
[M+H-H2O]+ 222.99831 140.7
[M+HCOO]- 284.99925 162.9
[M+CH3COO]- 299.01490 157.6
[M+Na-2H]- 260.97572 149.6
[M]+ 240.00050 162.3
[M]- 240.00160 162.3
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.