CID 198235

3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CC1=CC(=NC2=C(C=NN12)Br)C
InChI
InChI=1S/C8H8BrN3/c1-5-3-6(2)12-8(11-5)7(9)4-10-12/h3-4H,1-2H3
InChIKey
WUPBXHOKESCXBJ-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

224.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.997436 137.2
[M+Na]+ 247.979378 153.4
[M-H]- 223.982884 142.0
[M+NH4]+ 243.023983 159.0
[M+K]+ 263.953318 142.2
[M+H-H2O]+ 207.987420 136.8
[M+HCOO]- 269.988361 158.1
[M+CH3COO]- 284.004011 153.6
[M+Na-2H]- 245.964826 146.3
[M]+ 224.98961142 159.0
[M]- 224.99070858 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe