CID 49757472

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

Structural Information

Molecular Formula
C8H5BrN4
SMILES
CC1=NN2C=C(C=NC2=C1C#N)Br
InChI
InChI=1S/C8H5BrN4/c1-5-7(2-10)8-11-3-6(9)4-13(8)12-5/h3-4H,1H3
InChIKey
GQYKYYUHNQGMLE-UHFFFAOYSA-N
Compound name
6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

235.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.977036 135.1
[M+Na]+ 258.958978 151.9
[M-H]- 234.962484 137.0
[M+NH4]+ 254.003583 153.6
[M+K]+ 274.932918 139.8
[M+H-H2O]+ 218.967020 126.8
[M+HCOO]- 280.967961 154.3
[M+CH3COO]- 294.983611 149.2
[M+Na-2H]- 256.944426 143.4
[M]+ 235.96921142 149.3
[M]- 235.97030858 149.3
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

patents stripe