CID 165755509

3-bromo-6-methanesulfonylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H6BrN3O2S
SMILES
CS(=O)(=O)C1=CN2C(=C(C=N2)Br)N=C1
InChI
InChI=1S/C7H6BrN3O2S/c1-14(12,13)5-2-9-7-6(8)3-10-11(7)4-5/h2-4H,1H3
InChIKey
ZYQRWPIDXVUGEA-UHFFFAOYSA-N
Compound name
3-bromo-6-methylsulfonylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.94368 142.4
[M+Na]+ 297.92562 146.3
[M+NH4]+ 292.97022 146.2
[M+K]+ 313.89956 147.5
[M-H]- 273.92912 140.7
[M+Na-2H]- 295.91107 145.2
[M]+ 274.93585 141.7
[M]- 274.93695 141.7
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.