CID 165990859

3-bromo-6-methanesulfonyl-2-methylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H8BrN3O2S
SMILES
CC1=NN2C=C(C=NC2=C1Br)S(=O)(=O)C
InChI
InChI=1S/C8H8BrN3O2S/c1-5-7(9)8-10-3-6(15(2,13)14)4-12(8)11-5/h3-4H,1-2H3
InChIKey
YEFKFZHSJOQLRB-UHFFFAOYSA-N
Compound name
3-bromo-2-methyl-6-methylsulfonylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.95206 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.95934 143.5
[M+Na]+ 311.94128 160.9
[M-H]- 287.94478 149.1
[M+NH4]+ 306.98588 163.7
[M+K]+ 327.91522 149.2
[M+H-H2O]+ 271.94932 144.4
[M+HCOO]- 333.95026 159.1
[M+CH3COO]- 347.96591 193.5
[M+Na-2H]- 309.92673 151.1
[M]+ 288.95151 168.5
[M]- 288.95261 168.5
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.